CID 3008661

(4-methyl-1-piperidyl)-[2-(2-thienyl)-1h-benzimidazol-5-yl]methanone

Structural Information

Molecular Formula
C18H19N3OS
SMILES
CC1CCN(CC1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=CS4
InChI
InChI=1S/C18H19N3OS/c1-12-6-8-21(9-7-12)18(22)13-4-5-14-15(11-13)20-17(19-14)16-3-2-10-23-16/h2-5,10-12H,6-9H2,1H3,(H,19,20)
InChIKey
NOUPNSLMKBYHSA-UHFFFAOYSA-N
Compound name
(4-methylpiperidin-1-yl)-(2-thiophen-2-yl-3H-benzimidazol-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.12488 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13216 176.0
[M+Na]+ 348.11410 184.8
[M-H]- 324.11760 182.4
[M+NH4]+ 343.15870 190.8
[M+K]+ 364.08804 178.6
[M+H-H2O]+ 308.12214 168.1
[M+HCOO]- 370.12308 188.6
[M+CH3COO]- 384.13873 186.3
[M+Na-2H]- 346.09955 173.1
[M]+ 325.12433 175.5
[M]- 325.12543 175.5
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.