CID 52556

3-(2-(4-methoxybenzylamino)ethyl)indole monohydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
COC1=CC=C(C=C1)CNCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C18H20N2O/c1-21-16-8-6-14(7-9-16)12-19-11-10-15-13-20-18-5-3-2-4-17(15)18/h2-9,13,19-20H,10-12H2,1H3
InChIKey
MBINHSDRJFYMHA-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.15756 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.8
[M+Na]+ 303.14678 181.0
[M+NH4]+ 298.19138 175.6
[M+K]+ 319.12072 173.7
[M-H]- 279.15028 171.7
[M+Na-2H]- 301.13223 175.5
[M]+ 280.15701 170.3
[M]- 280.15811 170.3
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

patents stripe