CID 10978403

4-(benzyloxy)-1h-indole-3-ethanamine

Structural Information

Molecular Formula
C17H18N2O
SMILES
C1=CC=C(C=C1)COC2=CC=CC3=C2C(=CN3)CCN
InChI
InChI=1S/C17H18N2O/c18-10-9-14-11-19-15-7-4-8-16(17(14)15)20-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12,18H2
InChIKey
KSDRYRLZDHZMDM-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxy-1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
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 162.3
[M+Na]+ 289.13112 176.4
[M+NH4]+ 284.17572 171.1
[M+K]+ 305.10506 169.6
[M-H]- 265.13462 167.0
[M+Na-2H]- 287.11657 170.8
[M]+ 266.14135 165.7
[M]- 266.14245 165.7
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