CID 244812

Nsc685802

Structural Information

Molecular Formula
C11H10N4O3
SMILES
CC1=CC=C(C=C1)NC2=C(C(=O)NC(=O)N2)N=O
InChI
InChI=1S/C11H10N4O3/c1-6-2-4-7(5-3-6)12-9-8(15-18)10(16)14-11(17)13-9/h2-5H,1H3,(H3,12,13,14,16,17)
InChIKey
KISQMZNLGUJUJL-UHFFFAOYSA-N
Compound name
6-(4-methylanilino)-5-nitroso-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.07529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08257 151.3
[M+Na]+ 269.06451 161.3
[M-H]- 245.06801 155.4
[M+NH4]+ 264.10911 164.8
[M+K]+ 285.03845 156.6
[M+H-H2O]+ 229.07255 142.5
[M+HCOO]- 291.07349 175.7
[M+CH3COO]- 305.08914 194.9
[M+Na-2H]- 267.04996 158.5
[M]+ 246.07474 150.8
[M]- 246.07584 150.8
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.