CID 3055011

1,3-dioxol-2-one, 4-(4-methylphenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC1=CC=C(C=C1)C2=C(OC(=O)O2)CCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C22H24N2O3/c1-17-7-9-18(10-8-17)21-20(26-22(25)27-21)11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3
InChIKey
QCFPYXJYLFYGMP-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

364.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 188.7
[M+Na]+ 387.16790 195.3
[M-H]- 363.17140 199.7
[M+NH4]+ 382.21250 196.8
[M+K]+ 403.14184 191.8
[M+H-H2O]+ 347.17594 177.7
[M+HCOO]- 409.17688 205.5
[M+CH3COO]- 423.19253 198.4
[M+Na-2H]- 385.15335 189.0
[M]+ 364.17813 188.8
[M]- 364.17923 188.8
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