CID 51443

71923-00-7

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CN(CCN1CCC2=C(OC(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O3/c24-21-25-19(20(26-21)17-7-3-1-4-8-17)11-12-22-13-15-23(16-14-22)18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
ZHYNGNFRXSCGRM-UHFFFAOYSA-N
Compound name
4-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

350.16306 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.4
[M+Na]+ 373.15228 189.5
[M-H]- 349.15578 194.1
[M+NH4]+ 368.19688 191.7
[M+K]+ 389.12622 186.2
[M+H-H2O]+ 333.16032 172.3
[M+HCOO]- 395.16126 200.5
[M+CH3COO]- 409.17691 193.3
[M+Na-2H]- 371.13773 185.0
[M]+ 350.16251 182.8
[M]- 350.16361 182.8
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