CID 16728882

Chembl395397

Structural Information

Molecular Formula
C16H15FN6O2
SMILES
CC1=C(C(=NC(=N1)NCC2=CC(=CC=C2)F)N3C=CN=C3C)[N+](=O)[O-]
InChI
InChI=1S/C16H15FN6O2/c1-10-14(23(24)25)15(22-7-6-18-11(22)2)21-16(20-10)19-9-12-4-3-5-13(17)8-12/h3-8H,9H2,1-2H3,(H,19,20,21)
InChIKey
GTJLFQCUBSOYJY-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)methyl]-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

342.12405 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13133 176.7
[M+Na]+ 365.11327 185.1
[M-H]- 341.11677 181.5
[M+NH4]+ 360.15787 185.3
[M+K]+ 381.08721 175.0
[M+H-H2O]+ 325.12131 168.9
[M+HCOO]- 387.12225 197.9
[M+CH3COO]- 401.13790 209.5
[M+Na-2H]- 363.09872 182.3
[M]+ 342.12350 175.2
[M]- 342.12460 175.2
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.