CID 51920

73623-32-2

Structural Information

Molecular Formula
C15H17N5O4
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(N(C(=O)N(C2=O)C)C)N
InChI
InChI=1S/C15H17N5O4/c1-8(21)17-10-6-4-9(5-7-10)13(22)18-11-12(16)19(2)15(24)20(3)14(11)23/h4-7H,16H2,1-3H3,(H,17,21)(H,18,22)
InChIKey
ZLSSSGLGTDGMDE-UHFFFAOYSA-N
Compound name
4-acetamido-N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.12805 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.135326 176.5
[M+Na]+ 354.117268 185.7
[M-H]- 330.120774 181.9
[M+NH4]+ 349.161873 187.1
[M+K]+ 370.091208 182.2
[M+H-H2O]+ 314.125310 167.1
[M+HCOO]- 376.126251 199.7
[M+CH3COO]- 390.141901 219.2
[M+Na-2H]- 352.102716 177.8
[M]+ 331.12750142 177.7
[M]- 331.12859858 177.7
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.