CID 3071835

2(3h)-furanone, dihydro-5-(4-chlorophenyl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C16H21ClN2O3
SMILES
C1CN(CCN1CCO)C2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H21ClN2O3/c17-13-3-1-12(2-4-13)15-11-14(16(21)22-15)19-7-5-18(6-8-19)9-10-20/h1-4,14-15,20H,5-11H2
InChIKey
BEVVWKMYVWEMLS-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.12408 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13136 176.8
[M+Na]+ 347.11330 182.7
[M-H]- 323.11680 182.2
[M+NH4]+ 342.15790 188.5
[M+K]+ 363.08724 178.1
[M+H-H2O]+ 307.12134 167.9
[M+HCOO]- 369.12228 186.3
[M+CH3COO]- 383.13793 186.0
[M+Na-2H]- 345.09875 175.1
[M]+ 324.12353 174.5
[M]- 324.12463 174.5
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.