CID 3298744

2-(2,4-dichlorophenyl)-2-(1h-indol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C16H14Cl2N2
SMILES
C1=CC=C2C(=C1)C(=CN2)C(CN)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2/c17-10-5-6-11(15(18)7-10)13(8-19)14-9-20-16-4-2-1-3-12(14)16/h1-7,9,13,20H,8,19H2
InChIKey
ZPKMAEIACURLLY-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

304.0534 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06068 168.1
[M+Na]+ 327.04262 178.7
[M-H]- 303.04612 172.4
[M+NH4]+ 322.08722 185.0
[M+K]+ 343.01656 169.7
[M+H-H2O]+ 287.05066 161.7
[M+HCOO]- 349.05160 180.6
[M+CH3COO]- 363.06725 179.3
[M+Na-2H]- 325.02807 170.7
[M]+ 304.05285 170.1
[M]- 304.05395 170.1
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.