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 180.1
[M+Na]+ 354.07867 190.2
[M-H]- 330.08217 188.4
[M+NH4]+ 349.12327 199.0
[M+K]+ 370.05261 182.6
[M+H-H2O]+ 314.08671 173.6
[M+HCOO]- 376.08765 195.0
[M+CH3COO]- 390.10330 192.0
[M+Na-2H]- 352.06412 180.9
[M]+ 331.08890 186.1
[M]- 331.09000 186.1
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.