CID 16728894

Chembl233379

Structural Information

Molecular Formula
C15H15N7O2
SMILES
CC1=C(C(=NC(=N1)NCC2=CC=CC=N2)N3C=CN=C3C)[N+](=O)[O-]
InChI
InChI=1S/C15H15N7O2/c1-10-13(22(23)24)14(21-8-7-16-11(21)2)20-15(19-10)18-9-12-5-3-4-6-17-12/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKey
RBBOVUJPBIOLQX-UHFFFAOYSA-N
Compound name
4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.12872 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13600 173.3
[M+Na]+ 348.11794 181.1
[M-H]- 324.12144 177.9
[M+NH4]+ 343.16254 180.9
[M+K]+ 364.09188 171.4
[M+H-H2O]+ 308.12598 165.7
[M+HCOO]- 370.12692 194.4
[M+CH3COO]- 384.14257 205.7
[M+Na-2H]- 346.10339 180.9
[M]+ 325.12817 172.3
[M]- 325.12927 172.3
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.