CID 3055017

71923-16-5

Structural Information

Molecular Formula
C21H20Cl2N2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H20Cl2N2O3/c22-16-3-1-15(2-4-16)20-19(27-21(26)28-20)9-10-24-11-13-25(14-12-24)18-7-5-17(23)6-8-18/h1-8H,9-14H2
InChIKey
ONKVQKINSXOXSB-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-5-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

418.08508 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09236 200.1
[M+Na]+ 441.07430 208.7
[M-H]- 417.07780 210.2
[M+NH4]+ 436.11890 207.6
[M+K]+ 457.04824 203.3
[M+H-H2O]+ 401.08234 189.3
[M+HCOO]- 463.08328 207.0
[M+CH3COO]- 477.09893 209.0
[M+Na-2H]- 439.05975 198.4
[M]+ 418.08453 203.8
[M]- 418.08563 203.8
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