CID 472134

[(3,4-dichlorophenyl)methyl](2-indol-3-ylethyl)amine

Structural Information

Molecular Formula
C17H16Cl2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2/c18-15-6-5-12(9-16(15)19)10-20-8-7-13-11-21-17-4-2-1-3-14(13)17/h1-6,9,11,20-21H,7-8,10H2
InChIKey
KEURMMJCGRSCAD-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

318.06906 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07634 172.3
[M+Na]+ 341.05828 182.7
[M-H]- 317.06178 176.6
[M+NH4]+ 336.10288 188.9
[M+K]+ 357.03222 173.3
[M+H-H2O]+ 301.06632 165.2
[M+HCOO]- 363.06726 186.0
[M+CH3COO]- 377.08291 183.4
[M+Na-2H]- 339.04373 176.4
[M]+ 318.06851 176.0
[M]- 318.06961 176.0
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