CID 35780

1h-indole, 3-(2-aminoethyl)-5-phenoxy-

Structural Information

Molecular Formula
C16H16N2O
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C16H16N2O/c17-9-8-12-11-18-16-7-6-14(10-15(12)16)19-13-4-2-1-3-5-13/h1-7,10-11,18H,8-9,17H2
InChIKey
ZURXROHPCVOMGH-UHFFFAOYSA-N
Compound name
2-(5-phenoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

36
Patents

252.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 155.9
[M+Na]+ 275.115488 164.6
[M-H]- 251.118994 160.9
[M+NH4]+ 270.160093 173.3
[M+K]+ 291.089428 158.5
[M+H-H2O]+ 235.123530 148.0
[M+HCOO]- 297.124471 179.5
[M+CH3COO]- 311.140121 168.1
[M+Na-2H]- 273.100936 162.0
[M]+ 252.12572142 155.9
[M]- 252.12681858 155.9
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