CID 472137

(4-fluoro-benzyl)-[2-(1h-indol-3-yl)-ethyl]-amine

Structural Information

Molecular Formula
C17H17FN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=CC=C(C=C3)F
InChI
InChI=1S/C17H17FN2/c18-15-7-5-13(6-8-15)11-19-10-9-14-12-20-17-4-2-1-3-16(14)17/h1-8,12,19-20H,9-11H2
InChIKey
GNAOYSCNQZGVBP-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

268.13757 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14485 159.3
[M+Na]+ 291.12679 167.7
[M-H]- 267.13029 163.2
[M+NH4]+ 286.17139 176.4
[M+K]+ 307.10073 160.6
[M+H-H2O]+ 251.13483 150.4
[M+HCOO]- 313.13577 182.0
[M+CH3COO]- 327.15142 170.9
[M+Na-2H]- 289.11224 165.3
[M]+ 268.13702 158.3
[M]- 268.13812 158.3
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

No patent data available for this compound.