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 200.9
[M+Na]+ 448.14166 205.8
[M-H]- 424.14516 206.1
[M+NH4]+ 443.18626 212.0
[M+K]+ 464.11560 200.4
[M+H-H2O]+ 408.14970 193.6
[M+HCOO]- 470.15064 211.2
[M+CH3COO]- 484.16629 228.6
[M+Na-2H]- 446.12711 201.1
[M]+ 425.15189 209.2
[M]- 425.15299 209.2
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.