CID 3056382

73771-03-6

Structural Information

Molecular Formula
C17H19Cl2N
SMILES
CN(CC(C1=CC=CC=C1)Cl)CC(C2=CC=CC=C2)Cl
InChI
InChI=1S/C17H19Cl2N/c1-20(12-16(18)14-8-4-2-5-9-14)13-17(19)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChIKey
ZZQNXTUQHKCPFK-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-chloro-2-phenylethyl)-N-methyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08945 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.09673 170.6
[M+Na]+ 330.07867 176.0
[M-H]- 306.08217 176.7
[M+NH4]+ 325.12327 186.5
[M+K]+ 346.05261 170.1
[M+H-H2O]+ 290.08671 163.6
[M+HCOO]- 352.08765 183.8
[M+CH3COO]- 366.10330 209.0
[M+Na-2H]- 328.06412 172.9
[M]+ 307.08890 173.8
[M]- 307.09000 173.8
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.