CID 16728899

Chembl234264

Structural Information

Molecular Formula
C15H22N6O2
SMILES
CC1=C(C(=NC(=N1)NC(C)CC(C)C)N2C=CN=C2C)[N+](=O)[O-]
InChI
InChI=1S/C15H22N6O2/c1-9(2)8-10(3)17-15-18-11(4)13(21(22)23)14(19-15)20-7-6-16-12(20)5/h6-7,9-10H,8H2,1-5H3,(H,17,18,19)
InChIKey
HEKKUDXFFBBRBP-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylimidazol-1-yl)-N-(4-methylpentan-2-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.18042 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18770 174.7
[M+Na]+ 341.16964 181.2
[M-H]- 317.17314 177.3
[M+NH4]+ 336.21424 184.7
[M+K]+ 357.14358 173.8
[M+H-H2O]+ 301.17768 169.2
[M+HCOO]- 363.17862 194.4
[M+CH3COO]- 377.19427 208.2
[M+Na-2H]- 339.15509 177.7
[M]+ 318.17987 174.9
[M]- 318.18097 174.9
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.