CID 40192

3-(2-aminopropyl)-2-(p-chlorophenyl)indole

Structural Information

Molecular Formula
C17H17ClN2
SMILES
CC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C17H17ClN2/c1-11(19)10-15-14-4-2-3-5-16(14)20-17(15)12-6-8-13(18)9-7-12/h2-9,11,20H,10,19H2,1H3
InChIKey
YPIHUDXZFADMFV-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1H-indol-3-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10803 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11531 166.2
[M+Na]+ 307.09725 175.9
[M-H]- 283.10075 171.2
[M+NH4]+ 302.14185 183.5
[M+K]+ 323.07119 167.8
[M+H-H2O]+ 267.10529 159.1
[M+HCOO]- 329.10623 183.5
[M+CH3COO]- 343.12188 177.8
[M+Na-2H]- 305.08270 169.1
[M]+ 284.10748 167.2
[M]- 284.10858 167.2
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.