CID 45603

3-(2-(alpha-methylbenzylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C18H20N2
SMILES
CC(C1=CC=CC=C1)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H20N2/c1-14(15-7-3-2-4-8-15)19-12-11-16-13-20-18-10-6-5-9-17(16)18/h2-10,13-14,19-20H,11-12H2,1H3
InChIKey
SEJCLOWVBGOUFD-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.16266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16994 161.7
[M+Na]+ 287.15188 168.3
[M-H]- 263.15538 166.6
[M+NH4]+ 282.19648 178.6
[M+K]+ 303.12582 162.0
[M+H-H2O]+ 247.15992 153.5
[M+HCOO]- 309.16086 184.1
[M+CH3COO]- 323.17651 173.0
[M+Na-2H]- 285.13733 167.3
[M]+ 264.16211 161.0
[M]- 264.16321 161.0
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.