CID 16728895

Chembl234435

Structural Information

Molecular Formula
C9H10N6O2
SMILES
CC1=C(C(=NC(=N1)N)N2C=CN=C2C)[N+](=O)[O-]
InChI
InChI=1S/C9H10N6O2/c1-5-7(15(16)17)8(13-9(10)12-5)14-4-3-11-6(14)2/h3-4H,1-2H3,(H2,10,12,13)
InChIKey
RNUWBUQYKBMWBS-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.08652 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09380 148.6
[M+Na]+ 257.07574 158.4
[M-H]- 233.07924 151.5
[M+NH4]+ 252.12034 161.9
[M+K]+ 273.04968 150.9
[M+H-H2O]+ 217.08378 143.9
[M+HCOO]- 279.08472 171.6
[M+CH3COO]- 293.10037 188.2
[M+Na-2H]- 255.06119 155.7
[M]+ 234.08597 147.0
[M]- 234.08707 147.0
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

No patent data available for this compound.