CID 51453

71923-24-5

Structural Information

Molecular Formula
C21H20ClFN2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C21H20ClFN2O3/c22-16-2-1-3-18(14-16)25-12-10-24(11-13-25)9-8-19-20(28-21(26)27-19)15-4-6-17(23)7-5-15/h1-7,14H,8-13H2
InChIKey
UDVUOJNXUGIJJR-UHFFFAOYSA-N
Compound name
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-(4-fluorophenyl)-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

402.11465 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.12193 196.2
[M+Na]+ 425.10387 204.7
[M-H]- 401.10737 205.9
[M+NH4]+ 420.14847 203.7
[M+K]+ 441.07781 199.6
[M+H-H2O]+ 385.11191 184.4
[M+HCOO]- 447.11285 207.3
[M+CH3COO]- 461.12850 205.5
[M+Na-2H]- 423.08932 194.9
[M]+ 402.11410 197.7
[M]- 402.11520 197.7
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