CID 3060059

77606-24-7

Structural Information

Molecular Formula
C22H24N2O4
SMILES
COC1=CC=C(C=C1)C2=C(OC(=O)O2)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O4/c1-26-19-9-7-17(8-10-19)21-20(27-22(25)28-21)11-12-23-13-15-24(16-14-23)18-5-3-2-4-6-18/h2-10H,11-16H2,1H3
InChIKey
PDXJEUYKJRDNMK-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

380.1736 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 191.3
[M+Na]+ 403.16282 197.5
[M-H]- 379.16632 202.2
[M+NH4]+ 398.20742 198.5
[M+K]+ 419.13676 194.8
[M+H-H2O]+ 363.17086 180.0
[M+HCOO]- 425.17180 208.2
[M+CH3COO]- 439.18745 200.8
[M+Na-2H]- 401.14827 191.7
[M]+ 380.17305 192.8
[M]- 380.17415 192.8
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