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

literature stripe

Patent stripe

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