CID 488899

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

Structural Information

Molecular Formula
C15H20N6O2
SMILES
CCC1CCCCN1C2=NC(=C(C(=N2)N3C=CN=C3)[N+](=O)[O-])C
InChI
InChI=1S/C15H20N6O2/c1-3-12-6-4-5-8-20(12)15-17-11(2)13(21(22)23)14(18-15)19-9-7-16-10-19/h7,9-10,12H,3-6,8H2,1-2H3
InChIKey
WAYFRUXSECYRDF-UHFFFAOYSA-N
Compound name
2-(2-ethylpiperidin-1-yl)-4-imidazol-1-yl-6-methyl-5-nitropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16476 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17204 175.3
[M+Na]+ 339.15398 181.2
[M-H]- 315.15748 178.7
[M+NH4]+ 334.19858 183.5
[M+K]+ 355.12792 172.4
[M+H-H2O]+ 299.16202 167.8
[M+HCOO]- 361.16296 191.3
[M+CH3COO]- 375.17861 202.0
[M+Na-2H]- 337.13943 178.9
[M]+ 316.16421 170.9
[M]- 316.16531 170.9
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.