CID 53711

3-(4-(m-chlorophenyl)-1-piperazinyl)dihydro-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula
C14H17ClN2O2
SMILES
C1COC(=O)C1N2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H17ClN2O2/c15-11-2-1-3-12(10-11)16-5-7-17(8-6-16)13-4-9-19-14(13)18/h1-3,10,13H,4-9H2
InChIKey
JSZJHSJEYIUPSA-UHFFFAOYSA-N
Compound name
3-[4-(3-chlorophenyl)piperazin-1-yl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09787 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10515 164.9
[M+Na]+ 303.08709 171.3
[M-H]- 279.09059 171.5
[M+NH4]+ 298.13169 178.8
[M+K]+ 319.06103 167.4
[M+H-H2O]+ 263.09513 155.8
[M+HCOO]- 325.09607 176.3
[M+CH3COO]- 339.11172 175.3
[M+Na-2H]- 301.07254 165.1
[M]+ 280.09732 161.8
[M]- 280.09842 161.8
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

No patent data available for this compound.