CID 16728958

2-pyrimidinamine, 4-methyl-n-[(2-methylcyclohexyl)methyl]-6-(2-methyl-1h-imidazol-1-yl)-5-nitro-

Structural Information

Molecular Formula
C17H24N6O2
SMILES
CC1CCCCC1CNC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C17H24N6O2/c1-11-6-4-5-7-14(11)10-19-17-20-12(2)15(23(24)25)16(21-17)22-9-8-18-13(22)3/h8-9,11,14H,4-7,10H2,1-3H3,(H,19,20,21)
InChIKey
OYPZERJSSMTOFA-UHFFFAOYSA-N
Compound name
4-methyl-N-[(2-methylcyclohexyl)methyl]-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.19608 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.20336 182.7
[M+Na]+ 367.18530 187.7
[M-H]- 343.18880 187.5
[M+NH4]+ 362.22990 191.1
[M+K]+ 383.15924 178.6
[M+H-H2O]+ 327.19334 175.7
[M+HCOO]- 389.19428 200.5
[M+CH3COO]- 403.20993 210.9
[M+Na-2H]- 365.17075 185.4
[M]+ 344.19553 178.4
[M]- 344.19663 178.4
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.