CID 3071833

139084-80-3

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CN1CCN(CC1)C2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H19ClN2O2/c1-17-6-8-18(9-7-17)13-10-14(20-15(13)19)11-2-4-12(16)5-3-11/h2-5,13-14H,6-10H2,1H3
InChIKey
WJZWNVZDXIOCLT-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.12078 169.7
[M+Na]+ 317.10272 176.6
[M-H]- 293.10622 176.5
[M+NH4]+ 312.14732 183.4
[M+K]+ 333.07666 172.4
[M+H-H2O]+ 277.11076 160.8
[M+HCOO]- 339.11170 180.8
[M+CH3COO]- 353.12735 180.1
[M+Na-2H]- 315.08817 168.7
[M]+ 294.11295 167.4
[M]- 294.11405 167.4
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

No patent data available for this compound.