CID 504298

N-[1-[(2r,4s)-4-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide

Structural Information

Molecular Formula
C16H17N3O5
SMILES
C1[C@@H](OC[C@]1(CO)O)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O5/c20-9-16(23)8-13(24-10-16)19-7-6-12(18-15(19)22)17-14(21)11-4-2-1-3-5-11/h1-7,13,20,23H,8-10H2,(H,17,18,21,22)/t13-,16+/m1/s1
InChIKey
LMFSKTVIDJEZCH-CJNGLKHVSA-N
Compound name
N-[1-[(2R,4S)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.11682 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12410 172.9
[M+Na]+ 354.10604 179.5
[M-H]- 330.10954 178.7
[M+NH4]+ 349.15064 184.2
[M+K]+ 370.07998 176.9
[M+H-H2O]+ 314.11408 164.1
[M+HCOO]- 376.11502 190.7
[M+CH3COO]- 390.13067 203.0
[M+Na-2H]- 352.09149 176.3
[M]+ 331.11627 172.0
[M]- 331.11737 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.