CID 39246

42739-91-3

Structural Information

Molecular Formula
C22H29Cl2NO3
SMILES
CC(CN(C)C)C(C1=CC=C(C=C1)OCCCl)(C2=CC=C(C=C2)OCCCl)O
InChI
InChI=1S/C22H29Cl2NO3/c1-17(16-25(2)3)22(26,18-4-8-20(9-5-18)27-14-12-23)19-6-10-21(11-7-19)28-15-13-24/h4-11,17,26H,12-16H2,1-3H3
InChIKey
IRYFTELBGXFEMK-UHFFFAOYSA-N
Compound name
1,1-bis[4-(2-chloroethoxy)phenyl]-3-(dimethylamino)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.15244 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.15972 202.9
[M+Na]+ 448.14166 215.4
[M+NH4]+ 443.18626 209.7
[M+K]+ 464.11560 207.3
[M-H]- 424.14516 206.3
[M+Na-2H]- 446.12711 209.4
[M]+ 425.15189 206.3
[M]- 425.15299 206.3
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.