CID 29215

3-(2-aminoethyl)-1-benzyl-5-methoxyindole hydrochloride

Structural Information

Molecular Formula
C18H20N2O
SMILES
COC1=CC2=C(C=C1)N(C=C2CCN)CC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-21-16-7-8-18-17(11-16)15(9-10-19)13-20(18)12-14-5-3-2-4-6-14/h2-8,11,13H,9-10,12,19H2,1H3
InChIKey
BXJRLUXIZQJJTF-UHFFFAOYSA-N
Compound name
2-(1-benzyl-5-methoxyindol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

280.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.9
[M+Na]+ 303.14678 175.0
[M-H]- 279.15028 172.3
[M+NH4]+ 298.19138 183.2
[M+K]+ 319.12072 169.3
[M+H-H2O]+ 263.15482 157.5
[M+HCOO]- 325.15576 190.2
[M+CH3COO]- 339.17141 178.2
[M+Na-2H]- 301.13223 170.5
[M]+ 280.15701 168.8
[M]- 280.15811 168.8
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