CID 3063314

100466-03-3

Structural Information

Molecular Formula
C22H23N3O
SMILES
C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCC#CC4=CC=CC=C4
InChI
InChI=1S/C22H23N3O/c26-22-23-20-11-4-5-12-21(20)25(22)19-13-16-24(17-14-19)15-7-6-10-18-8-2-1-3-9-18/h1-5,8-9,11-12,19H,7,13-17H2,(H,23,26)
InChIKey
WBCKSDLJLBWFPY-UHFFFAOYSA-N
Compound name
3-[1-(4-phenylbut-3-ynyl)piperidin-4-yl]-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1841 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19138 185.8
[M+Na]+ 368.17332 195.0
[M-H]- 344.17682 186.6
[M+NH4]+ 363.21792 194.5
[M+K]+ 384.14726 182.9
[M+H-H2O]+ 328.18136 168.2
[M+HCOO]- 390.18230 195.4
[M+CH3COO]- 404.19795 192.1
[M+Na-2H]- 366.15877 185.4
[M]+ 345.18355 176.4
[M]- 345.18465 176.4
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.