CID 107598

N-benzoyl-2'-deoxycytidine

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O
InChI
InChI=1S/C16H17N3O5/c20-9-12-11(21)8-14(24-12)19-7-6-13(18-16(19)23)17-15(22)10-4-2-1-3-5-10/h1-7,11-12,14,20-21H,8-9H2,(H,17,18,22,23)/t11-,12+,14+/m1/s1
InChIKey
MPSJHJFNKMUKCN-DYEKYZERSA-N
Compound name
N-[1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

331.11682 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.124096 174.0
[M+Na]+ 354.106038 180.4
[M-H]- 330.109544 179.8
[M+NH4]+ 349.150643 183.4
[M+K]+ 370.079978 177.4
[M+H-H2O]+ 314.114080 164.7
[M+HCOO]- 376.115021 191.7
[M+CH3COO]- 390.130671 204.8
[M+Na-2H]- 352.091486 175.3
[M]+ 331.11627142 173.0
[M]- 331.11736858 173.0
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

patents stripe