PubChemLite - 2',3'-olefin-t (C29H25FN2O4)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C(=C[C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C29H25FN2O4/c1-20-18-32(28(34)31-26(20)33)27-25(30)17-24(36-27)19-35-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,24,27H,19H2,1H3,(H,31,33,34)/t24-,27+/m0/s1

InChIKey

XBCRJIYVBIYSIL-RPLLCQBOSA-N

Compound name

1-[(2R,5S)-3-fluoro-5-(trityloxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-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]+	485.18712	217.7
[M+Na]+	507.16906	224.4
[M-H]-	483.17256	229.0
[M+NH4]+	502.21366	220.6
[M+K]+	523.14300	217.8
[M+H-H2O]+	467.17710	204.1
[M+HCOO]-	529.17804	232.5
[M+CH3COO]-	543.19369	224.9
[M+Na-2H]-	505.15451	217.3
[M]+	484.17929	217.1
[M]-	484.18039	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

485.18712

217.7

[M+Na]+

507.16906

224.4

[M-H]-

483.17256

229.0

[M+NH4]+

502.21366

220.6

[M+K]+

523.14300

217.8

[M+H-H2O]+

467.17710

204.1

[M+HCOO]-

529.17804

232.5

[M+CH3COO]-

543.19369

224.9

[M+Na-2H]-

505.15451

217.3

[M]+

484.17929

217.1

[M]-

484.18039

217.1

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

2',3'-olefin-t

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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