CID 215405

N-(1-(1h-indol-3-ylmethyl)-4-piperidinyl)benzamide hydrochloride

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1CN(CCC1NC(=O)C2=CC=CC=C2)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H23N3O/c25-21(16-6-2-1-3-7-16)23-18-10-12-24(13-11-18)15-17-14-22-20-9-5-4-8-19(17)20/h1-9,14,18,22H,10-13,15H2,(H,23,25)
InChIKey
COHKYVJQKVWPFK-UHFFFAOYSA-N
Compound name
N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 178.5
[M+Na]+ 356.17332 182.9
[M-H]- 332.17682 184.3
[M+NH4]+ 351.21792 190.4
[M+K]+ 372.14726 175.9
[M+H-H2O]+ 316.18136 168.0
[M+HCOO]- 378.18230 195.7
[M+CH3COO]- 392.19795 187.1
[M+Na-2H]- 354.15877 181.1
[M]+ 333.18355 173.3
[M]- 333.18465 173.3
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

No patent data available for this compound.