CID 213645

Brn 0503482

Structural Information

Molecular Formula
C29H30ClN3O
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)Cl)CCC3=CN(C4=CC=CC=C43)CC5=CC=CC=C5
InChI
InChI=1S/C29H30ClN3O/c30-25-12-10-23(11-13-25)29(34)31-26-15-18-32(19-16-26)17-14-24-21-33(20-22-6-2-1-3-7-22)28-9-5-4-8-27(24)28/h1-13,21,26H,14-20H2,(H,31,34)
InChIKey
CQHBEILEHQVHDI-UHFFFAOYSA-N
Compound name
N-[1-[2-(1-benzylindol-3-yl)ethyl]piperidin-4-yl]-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.20773 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.21501 217.2
[M+Na]+ 494.19695 222.0
[M-H]- 470.20045 226.5
[M+NH4]+ 489.24155 224.6
[M+K]+ 510.17089 212.4
[M+H-H2O]+ 454.20499 204.2
[M+HCOO]- 516.20593 229.2
[M+CH3COO]- 530.22158 223.7
[M+Na-2H]- 492.18240 215.7
[M]+ 471.20718 216.7
[M]- 471.20828 216.7
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.