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]+ 332.13533 176.5
[M+Na]+ 354.11727 185.7
[M-H]- 330.12077 181.9
[M+NH4]+ 349.16187 187.1
[M+K]+ 370.09121 182.2
[M+H-H2O]+ 314.12531 167.1
[M+HCOO]- 376.12625 199.7
[M+CH3COO]- 390.14190 219.2
[M+Na-2H]- 352.10272 177.8
[M]+ 331.12750 177.7
[M]- 331.12860 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.