CID 45594

3-(2-(4-chlorobenzylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C17H17ClN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2/c18-15-7-5-13(6-8-15)11-19-10-9-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,19-20H,9-11H2
InChIKey
VRHMOCLINRGJOD-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

284.10803 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11531 164.8
[M+Na]+ 307.09725 173.9
[M-H]- 283.10075 169.7
[M+NH4]+ 302.14185 182.0
[M+K]+ 323.07119 165.6
[M+H-H2O]+ 267.10529 157.1
[M+HCOO]- 329.10623 183.7
[M+CH3COO]- 343.12188 176.4
[M+Na-2H]- 305.08270 170.6
[M]+ 284.10748 166.9
[M]- 284.10858 166.9
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