CID 213161

Indene-3-ethylamine, 5(or 6)-chloro-2-(p-chlorophenyl)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C19H19Cl2N
SMILES
CN(C)CCC1=C(CC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H19Cl2N/c1-22(2)10-9-17-18(13-3-6-15(20)7-4-13)11-14-5-8-16(21)12-19(14)17/h3-8,12H,9-11H2,1-2H3
InChIKey
RCAKWJIPCHQEMP-UHFFFAOYSA-N
Compound name
2-[6-chloro-2-(4-chlorophenyl)-3H-inden-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.08945 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.09673 176.8
[M+Na]+ 354.07867 193.5
[M+NH4]+ 349.12327 187.6
[M+K]+ 370.05261 184.2
[M-H]- 330.08217 183.5
[M+Na-2H]- 352.06412 185.6
[M]+ 331.08890 182.0
[M]- 331.09000 182.0
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.