CID 488900

4-imidazol-1-yl-6-methyl-2-(3-methyl-piperidin-1-yl)-5-nitro-pyrimidine

Structural Information

Molecular Formula
C14H18N6O2
SMILES
CC1CCCN(C1)C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C
InChI
InChI=1S/C14H18N6O2/c1-10-4-3-6-18(8-10)14-16-11(2)12(20(21)22)13(17-14)19-7-5-15-9-19/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKey
HCHJLOQBHZRFQE-UHFFFAOYSA-N
Compound name
4-imidazol-1-yl-6-methyl-2-(3-methylpiperidin-1-yl)-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1491 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15638 170.9
[M+Na]+ 325.13832 177.3
[M-H]- 301.14182 174.5
[M+NH4]+ 320.18292 179.7
[M+K]+ 341.11226 168.6
[M+H-H2O]+ 285.14636 163.6
[M+HCOO]- 347.14730 187.2
[M+CH3COO]- 361.16295 199.1
[M+Na-2H]- 323.12377 174.9
[M]+ 302.14855 166.2
[M]- 302.14965 166.2
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.