CID 3050365

66307-46-8

Structural Information

Molecular Formula
C19H22Cl2N2O2
SMILES
C1CN(CCN1CC(COC2=CC(=C(C=C2)Cl)Cl)O)C3=CC=CC=C3
InChI
InChI=1S/C19H22Cl2N2O2/c20-18-7-6-17(12-19(18)21)25-14-16(24)13-22-8-10-23(11-9-22)15-4-2-1-3-5-15/h1-7,12,16,24H,8-11,13-14H2
InChIKey
KONLPKRXEWQEDD-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.10583 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11311 185.9
[M+Na]+ 403.09505 191.4
[M-H]- 379.09855 189.5
[M+NH4]+ 398.13965 195.0
[M+K]+ 419.06899 184.2
[M+H-H2O]+ 363.10309 176.0
[M+HCOO]- 425.10403 191.0
[M+CH3COO]- 439.11968 193.5
[M+Na-2H]- 401.08050 185.9
[M]+ 380.10528 185.8
[M]- 380.10638 185.8
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.