CID 9925908

2-(1-propylpiperidin-4-yl)-1h-benzimidazole-4-carboxamide

Structural Information

Molecular Formula
C16H22N4O
SMILES
CCCN1CCC(CC1)C2=NC3=C(C=CC=C3N2)C(=O)N
InChI
InChI=1S/C16H22N4O/c1-2-8-20-9-6-11(7-10-20)16-18-13-5-3-4-12(15(17)21)14(13)19-16/h3-5,11H,2,6-10H2,1H3,(H2,17,21)(H,18,19)
InChIKey
KXSIHXHEHABEJX-UHFFFAOYSA-N
Compound name
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

167
Patents

286.17935 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 169.0
[M+Na]+ 309.168568 175.4
[M-H]- 285.172074 170.5
[M+NH4]+ 304.213173 182.1
[M+K]+ 325.142508 169.5
[M+H-H2O]+ 269.176610 159.6
[M+HCOO]- 331.177551 184.7
[M+CH3COO]- 345.193201 178.2
[M+Na-2H]- 307.154016 170.0
[M]+ 286.17880142 164.8
[M]- 286.17989858 164.8
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