CID 3039252

42739-88-8

Structural Information

Molecular Formula
C20H25Cl2NO
SMILES
CCN(CC)CC(C)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C20H25Cl2NO/c1-4-23(5-2)14-15(3)20(24,16-6-10-18(21)11-7-16)17-8-12-19(22)13-9-17/h6-13,15,24H,4-5,14H2,1-3H3
InChIKey
REAPVXVNXDCZIV-UHFFFAOYSA-N
Compound name
1,1-bis(4-chlorophenyl)-3-(diethylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.13132 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.13860 186.6
[M+Na]+ 388.12054 192.6
[M-H]- 364.12404 192.0
[M+NH4]+ 383.16514 200.2
[M+K]+ 404.09448 186.2
[M+H-H2O]+ 348.12858 180.0
[M+HCOO]- 410.12952 197.0
[M+CH3COO]- 424.14517 218.9
[M+Na-2H]- 386.10599 187.5
[M]+ 365.13077 191.3
[M]- 365.13187 191.3
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.