CID 3124849

2-(1h-indol-3-yl)-2-(4-methoxyphenyl)ethan-1-amine

Structural Information

Molecular Formula
C17H18N2O
SMILES
COC1=CC=C(C=C1)C(CN)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H18N2O/c1-20-13-8-6-12(7-9-13)15(10-18)16-11-19-17-5-3-2-4-14(16)17/h2-9,11,15,19H,10,18H2,1H3
InChIKey
IUZLJHFEVNYLAW-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

266.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 161.3
[M+Na]+ 289.13112 169.2
[M-H]- 265.13462 166.3
[M+NH4]+ 284.17572 178.1
[M+K]+ 305.10506 163.4
[M+H-H2O]+ 249.13916 153.4
[M+HCOO]- 311.14010 183.6
[M+CH3COO]- 325.15575 172.9
[M+Na-2H]- 287.11657 165.7
[M]+ 266.14135 161.1
[M]- 266.14245 161.1
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

patents stripe