CID 51449

71923-07-4

Structural Information

Molecular Formula
C21H19Cl2FN2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C21H19Cl2FN2O3/c22-17-6-5-16(13-18(17)23)26-11-9-25(10-12-26)8-7-19-20(29-21(27)28-19)14-1-3-15(24)4-2-14/h1-6,13H,7-12H2
InChIKey
DRNXEAJAKDQKOV-UHFFFAOYSA-N
Compound name
4-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

436.07568 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.08296 203.2
[M+Na]+ 459.06490 212.8
[M-H]- 435.06840 212.3
[M+NH4]+ 454.10950 210.2
[M+K]+ 475.03884 206.9
[M+H-H2O]+ 419.07294 191.7
[M+HCOO]- 481.07388 209.1
[M+CH3COO]- 495.08953 211.9
[M+Na-2H]- 457.05035 200.3
[M]+ 436.07513 206.5
[M]- 436.07623 206.5
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