CID 51441

71922-95-7

Structural Information

Molecular Formula
C21H21FN2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C21H21FN2O3/c22-17-8-6-16(7-9-17)20-19(26-21(25)27-20)10-11-23-12-14-24(15-13-23)18-4-2-1-3-5-18/h1-9H,10-15H2
InChIKey
NFYAWNPZCNDDOG-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

368.15363 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16091 190.4
[M+Na]+ 391.14285 205.3
[M+NH4]+ 386.18745 196.9
[M+K]+ 407.11679 199.3
[M-H]- 367.14635 198.2
[M+Na-2H]- 389.12830 198.2
[M]+ 368.15308 194.8
[M]- 368.15418 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