CID 10978403

109249-04-9

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 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

No literature data available for this compound.

Patent stripe

patents stripe