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

5
Patents

364.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.185956 188.7
[M+Na]+ 387.167898 195.3
[M-H]- 363.171404 199.7
[M+NH4]+ 382.212503 196.8
[M+K]+ 403.141838 191.8
[M+H-H2O]+ 347.175940 177.7
[M+HCOO]- 409.176881 205.5
[M+CH3COO]- 423.192531 198.4
[M+Na-2H]- 385.153346 189.0
[M]+ 364.17813142 188.8
[M]- 364.17922858 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