CID 46831476

3-(1-(cyclohexyl(methyl)carbamoyl)-1h-imidazol-4-yl)pyridine 1-oxide

Structural Information

Molecular Formula
C16H20N4O2
SMILES
CN(C1CCCCC1)C(=O)N2C=C(N=C2)C3=C[N+](=CC=C3)[O-]
InChI
InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
InChIKey
DOWVMJFBDGWVML-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-methyl-4-(1-oxidopyridin-1-ium-3-yl)imidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

7215
Patents

300.15863 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.165906 170.4
[M+Na]+ 323.147848 173.9
[M-H]- 299.151354 175.6
[M+NH4]+ 318.192453 181.6
[M+K]+ 339.121788 166.1
[M+H-H2O]+ 283.155890 164.1
[M+HCOO]- 345.156831 188.0
[M+CH3COO]- 359.172481 196.2
[M+Na-2H]- 321.133296 173.4
[M]+ 300.15808142 164.1
[M]- 300.15917858 164.1
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

patents stripe