CID 3046302

1-piperazineethanol, 4-(bis(4-chlorophenoxy)acetyl)-

Structural Information

Molecular Formula
C20H22Cl2N2O4
SMILES
C1CN(CCN1CCO)C(=O)C(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22Cl2N2O4/c21-15-1-5-17(6-2-15)27-20(28-18-7-3-16(22)4-8-18)19(26)24-11-9-23(10-12-24)13-14-25/h1-8,20,25H,9-14H2
InChIKey
DHWFJGZBDBGYNL-UHFFFAOYSA-N
Compound name
2,2-bis(4-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.09567 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10295 192.8
[M+Na]+ 447.08489 197.6
[M-H]- 423.08839 196.7
[M+NH4]+ 442.12949 200.0
[M+K]+ 463.05883 191.8
[M+H-H2O]+ 407.09293 182.9
[M+HCOO]- 469.09387 197.4
[M+CH3COO]- 483.10952 219.4
[M+Na-2H]- 445.07034 191.8
[M]+ 424.09512 194.8
[M]- 424.09622 194.8
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

patents stripe