PubChemLite - 1-[[(2r,3s,4r,5s)-4-[(2-fluorophenyl)methoxy]-3-hydroxy-5-methoxy-tetrahydrofuran-2-yl]methyl]-5,6-dimethyl-pyrimidine-2,4-dione (C19H23FN2O6)

Structural Information

Molecular Formula

SMILES

CC1=C(N(C(=O)NC1=O)C[C@@H]2[C@@H]([C@H]([C@H](O2)OC)OCC3=CC=CC=C3F)O)C

InChI

InChI=1S/C19H23FN2O6/c1-10-11(2)22(19(25)21-17(10)24)8-14-15(23)16(18(26-3)28-14)27-9-12-6-4-5-7-13(12)20/h4-7,14-16,18,23H,8-9H2,1-3H3,(H,21,24,25)/t14-,15+,16-,18+/m1/s1

InChIKey

DMSDVLOACBNWBP-HPFXQQBRSA-N

Compound name

1-[[(2R,3S,4R,5S)-4-[(2-fluorophenyl)methoxy]-3-hydroxy-5-methoxyoxolan-2-yl]methyl]-5,6-dimethylpyrimidine-2,4-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	395.16130	190.5
[M+Na]+	417.14324	200.1
[M-H]-	393.14674	195.8
[M+NH4]+	412.18784	198.8
[M+K]+	433.11718	196.3
[M+H-H2O]+	377.15128	180.8
[M+HCOO]-	439.15222	206.0
[M+CH3COO]-	453.16787	218.5
[M+Na-2H]-	415.12869	187.4
[M]+	394.15347	194.0
[M]-	394.15457	194.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

395.16130

190.5

[M+Na]+

417.14324

200.1

[M-H]-

393.14674

195.8

[M+NH4]+

412.18784

198.8

[M+K]+

433.11718

196.3

[M+H-H2O]+

377.15128

180.8

[M+HCOO]-

439.15222

206.0

[M+CH3COO]-

453.16787

218.5

[M+Na-2H]-

415.12869

187.4

[M]+

394.15347

194.0

[M]-

394.15457

194.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-[[(2r,3s,4r,5s)-4-[(2-fluorophenyl)methoxy]-3-hydroxy-5-methoxy-tetrahydrofuran-2-yl]methyl]-5,6-dimethyl-pyrimidine-2,4-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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