CID 135429977

Nsc629116

Structural Information

Molecular Formula
C9H12N4O4
SMILES
CC(=O)N(C1=C(N=C(NC1=O)OC)N)C(=O)C
InChI
InChI=1S/C9H12N4O4/c1-4(14)13(5(2)15)6-7(10)11-9(17-3)12-8(6)16/h1-3H3,(H3,10,11,12,16)
InChIKey
DKODDAQRHFHSLT-UHFFFAOYSA-N
Compound name
N-acetyl-N-(4-amino-2-methoxy-6-oxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.08586 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09314 150.3
[M+Na]+ 263.07508 158.7
[M-H]- 239.07858 152.0
[M+NH4]+ 258.11968 164.7
[M+K]+ 279.04902 158.1
[M+H-H2O]+ 223.08312 142.6
[M+HCOO]- 285.08406 172.2
[M+CH3COO]- 299.09971 197.2
[M+Na-2H]- 261.06053 152.6
[M]+ 240.08531 151.5
[M]- 240.08641 151.5
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.