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]+ 270.089156 160.6
[M+Na]+ 292.071098 167.9
[M-H]- 268.074604 166.5
[M+NH4]+ 287.115703 177.5
[M+K]+ 308.045038 163.9
[M+H-H2O]+ 252.079140 154.9
[M+HCOO]- 314.080081 178.0
[M+CH3COO]- 328.095731 194.6
[M+Na-2H]- 290.056546 163.0
[M]+ 269.08133142 162.2
[M]- 269.08242858 162.2
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.