CID 3071827

Dihydro-5-(4-chlorophenyl)-3-((3-hydroxypropyl)amino)-2(3h)-furanone hydrochloride

Structural Information

Molecular Formula
C13H16ClNO3
SMILES
C1C(C(=O)OC1C2=CC=C(C=C2)Cl)NCCCO
InChI
InChI=1S/C13H16ClNO3/c14-10-4-2-9(3-5-10)12-8-11(13(17)18-12)15-6-1-7-16/h2-5,11-12,15-16H,1,6-8H2
InChIKey
MDPZPGXKEAYRQK-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(3-hydroxypropylamino)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.08188 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08916 159.3
[M+Na]+ 292.07110 170.6
[M+NH4]+ 287.11570 166.9
[M+K]+ 308.04504 166.0
[M-H]- 268.07460 163.5
[M+Na-2H]- 290.05655 164.0
[M]+ 269.08133 162.1
[M]- 269.08243 162.1
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.