CID 472119

1-(3-fluorophenyl)-n-(1h-indol-3-ylmethyl)methanamine

Structural Information

Molecular Formula
C16H15FN2
SMILES
C1=CC=C2C(=C1)C(=CN2)CNCC3=CC(=CC=C3)F
InChI
InChI=1S/C16H15FN2/c17-14-5-3-4-12(8-14)9-18-10-13-11-19-16-7-2-1-6-15(13)16/h1-8,11,18-19H,9-10H2
InChIKey
HVWXEXVYMTZSQU-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.12193 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12921 154.7
[M+Na]+ 277.11115 163.6
[M-H]- 253.11465 158.8
[M+NH4]+ 272.15575 172.4
[M+K]+ 293.08509 156.7
[M+H-H2O]+ 237.11919 146.0
[M+HCOO]- 299.12013 177.7
[M+CH3COO]- 313.13578 166.8
[M+Na-2H]- 275.09660 161.3
[M]+ 254.12138 153.3
[M]- 254.12248 153.3
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.