CID 201466

N-p-toluoyl-5-fluoro-2'-deoxycytidine

Structural Information

Molecular Formula
C17H18FN3O5
SMILES
CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2F)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H18FN3O5/c1-9-2-4-10(5-3-9)16(24)19-15-11(18)7-21(17(25)20-15)14-6-12(23)13(8-22)26-14/h2-5,7,12-14,22-23H,6,8H2,1H3,(H,19,20,24,25)/t12-,13+,14+/m0/s1
InChIKey
VCRXENKFMIAZPE-BFHYXJOUSA-N
Compound name
N-[5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.12305 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.13033 185.6
[M+Na]+ 386.11227 195.8
[M+NH4]+ 381.15687 188.9
[M+K]+ 402.08621 194.1
[M-H]- 362.11577 187.5
[M+Na-2H]- 384.09772 188.6
[M]+ 363.12250 187.0
[M]- 363.12360 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.