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]+ 316.129196 170.8
[M+Na]+ 338.111138 177.1
[M-H]- 314.114644 177.5
[M+NH4]+ 333.155743 181.5
[M+K]+ 354.085078 174.1
[M+H-H2O]+ 298.119180 161.2
[M+HCOO]- 360.120121 189.9
[M+CH3COO]- 374.135771 203.3
[M+Na-2H]- 336.096586 173.1
[M]+ 315.12137142 169.8
[M]- 315.12246858 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

literature stripe

Patent stripe

No patent data available for this compound.