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 164.6
[M+Na]+ 303.14678 172.3
[M-H]- 279.15028 169.7
[M+NH4]+ 298.19138 181.1
[M+K]+ 319.12072 166.1
[M+H-H2O]+ 263.15482 156.2
[M+HCOO]- 325.15576 188.1
[M+CH3COO]- 339.17141 176.2
[M+Na-2H]- 301.13223 170.6
[M]+ 280.15701 166.2
[M]- 280.15811 166.2
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

patents stripe