CID 135677719

299916-90-8

Structural Information

Molecular Formula
C7H8N4O4
SMILES
CC1=C(C(=O)NC(=N1)NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C7H8N4O4/c1-3-5(11(14)15)6(13)10-7(8-3)9-4(2)12/h1-2H3,(H2,8,9,10,12,13)
InChIKey
FTUUKELCLGAATN-UHFFFAOYSA-N
Compound name
N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

212.05455 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06183 139.1
[M+Na]+ 235.04377 147.7
[M-H]- 211.04727 140.0
[M+NH4]+ 230.08837 153.7
[M+K]+ 251.01771 141.5
[M+H-H2O]+ 195.05181 136.6
[M+HCOO]- 257.05275 162.2
[M+CH3COO]- 271.06840 179.9
[M+Na-2H]- 233.02922 146.8
[M]+ 212.05400 137.1
[M]- 212.05510 137.1
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

patents stripe