CID 472142

N-[(2,6-difluorophenyl)methyl]-2-(1h-indol-3-yl)ethanamine

Structural Information

Molecular Formula
C17H16F2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=C(C=CC=C3F)F
InChI
InChI=1S/C17H16F2N2/c18-15-5-3-6-16(19)14(15)11-20-9-8-12-10-21-17-7-2-1-4-13(12)17/h1-7,10,20-21H,8-9,11H2
InChIKey
ACTIJSXJXMNFCX-UHFFFAOYSA-N
Compound name
N-[(2,6-difluorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.12814 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13542 162.5
[M+Na]+ 309.11736 171.9
[M-H]- 285.12086 165.4
[M+NH4]+ 304.16196 179.1
[M+K]+ 325.09130 164.3
[M+H-H2O]+ 269.12540 152.8
[M+HCOO]- 331.12634 184.1
[M+CH3COO]- 345.14199 173.9
[M+Na-2H]- 307.10281 167.1
[M]+ 286.12759 160.8
[M]- 286.12869 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

No patent data available for this compound.