PubChemLite - 1-{(2s,5s)-4-fluoro-5-[(trityloxy)methyl]tetrahydrofuran-2-yl}pyrimidine-2,4(1h,3h)-dione (C28H25FN2O4)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)F

InChI

InChI=1S/C28H25FN2O4/c29-23-18-26(31-17-16-25(32)30-27(31)33)35-24(23)19-34-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26H,18-19H2,(H,30,32,33)/t23-,24+,26+/m0/s1

InChIKey

GJNIPWYJQUGERM-BFLUCZKCSA-N

Compound name

1-[(2R,4S,5R)-4-fluoro-5-(trityloxymethyl)oxolan-2-yl]pyrimidine-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]+	473.18712	212.8
[M+Na]+	495.16906	218.2
[M-H]-	471.17256	223.5
[M+NH4]+	490.21366	216.0
[M+K]+	511.14300	211.9
[M+H-H2O]+	455.17710	199.4
[M+HCOO]-	517.17804	226.8
[M+CH3COO]-	531.19369	219.7
[M+Na-2H]-	493.15451	212.9
[M]+	472.17929	210.2
[M]-	472.18039	210.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

473.18712

212.8

[M+Na]+

495.16906

218.2

[M-H]-

471.17256

223.5

[M+NH4]+

490.21366

216.0

[M+K]+

511.14300

211.9

[M+H-H2O]+

455.17710

199.4

[M+HCOO]-

517.17804

226.8

[M+CH3COO]-

531.19369

219.7

[M+Na-2H]-

493.15451

212.9

[M]+

472.17929

210.2

[M]-

472.18039

210.2

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

1-{(2s,5s)-4-fluoro-5-[(trityloxy)methyl]tetrahydrofuran-2-yl}pyrimidine-2,4(1h,3h)-dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe