CID 89576

Einecs 257-626-4

Structural Information

Molecular Formula
C17H18N2O
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Compound name
2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

221
Patents

266.1419 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 160.4
[M+Na]+ 289.13112 168.7
[M-H]- 265.13462 165.3
[M+NH4]+ 284.17572 177.3
[M+K]+ 305.10506 162.4
[M+H-H2O]+ 249.13916 152.4
[M+HCOO]- 311.14010 183.7
[M+CH3COO]- 325.15575 172.2
[M+Na-2H]- 287.11657 166.0
[M]+ 266.14135 160.8
[M]- 266.14245 160.8
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