CID 16728964

Chembl394324

Structural Information

Molecular Formula
C15H20N6O2
SMILES
CC1CCCC1NC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C15H20N6O2/c1-9-5-4-6-12(9)18-15-17-10(2)13(21(22)23)14(19-15)20-8-7-16-11(20)3/h7-9,12H,4-6H2,1-3H3,(H,17,18,19)
InChIKey
BRRSYFCUYUISPX-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-methylcyclopentyl)-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.16476 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17204 173.1
[M+Na]+ 339.15398 179.7
[M-H]- 315.15748 179.1
[M+NH4]+ 334.19858 184.7
[M+K]+ 355.12792 171.6
[M+H-H2O]+ 299.16202 167.2
[M+HCOO]- 361.16296 193.9
[M+CH3COO]- 375.17861 204.7
[M+Na-2H]- 337.13943 175.4
[M]+ 316.16421 170.3
[M]- 316.16531 170.3
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.