CID 472129

155503-31-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
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

No patent data available for this compound.