CID 472133

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

Structural Information

Molecular Formula
C17H16Cl2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNCC3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C17H16Cl2N2/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
WFNFOCDKYKTUBV-UHFFFAOYSA-N
Compound name
N-[(2,6-dichlorophenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.06906 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.07634 172.3
[M+Na]+ 341.05828 182.7
[M-H]- 317.06178 176.6
[M+NH4]+ 336.10288 188.9
[M+K]+ 357.03222 173.3
[M+H-H2O]+ 301.06632 165.2
[M+HCOO]- 363.06726 186.0
[M+CH3COO]- 377.08291 183.4
[M+Na-2H]- 339.04373 176.4
[M]+ 318.06851 176.0
[M]- 318.06961 176.0
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

No patent data available for this compound.