CID 357106

Nsc614939

Structural Information

Molecular Formula
C16H17N3O4
SMILES
C1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H17N3O4/c20-10-12-6-7-14(23-12)19-9-8-13(18-16(19)22)17-15(21)11-4-2-1-3-5-11/h1-5,8-9,12,14,20H,6-7,10H2,(H,17,18,21,22)
InChIKey
YGZQYMMFALYKCO-UHFFFAOYSA-N
Compound name
N-[1-[5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

315.12192 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12920 170.8
[M+Na]+ 338.11114 177.1
[M-H]- 314.11464 177.5
[M+NH4]+ 333.15574 181.5
[M+K]+ 354.08508 174.1
[M+H-H2O]+ 298.11918 161.2
[M+HCOO]- 360.12012 189.9
[M+CH3COO]- 374.13577 203.3
[M+Na-2H]- 336.09659 173.1
[M]+ 315.12137 169.8
[M]- 315.12247 169.8
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.