CID 209787

N-(3-hydroxypropyl)-3-(p-chlorobenzoyl)propionamide

Structural Information

Molecular Formula
C13H16ClNO3
SMILES
C1=CC(=CC=C1C(=O)CCC(=O)NCCCO)Cl
InChI
InChI=1S/C13H16ClNO3/c14-11-4-2-10(3-5-11)12(17)6-7-13(18)15-8-1-9-16/h2-5,16H,1,6-9H2,(H,15,18)
InChIKey
PGUDNIYVFKIZJQ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(3-hydroxypropyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.08188 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08916 159.9
[M+Na]+ 292.07110 166.0
[M-H]- 268.07460 161.7
[M+NH4]+ 287.11570 176.1
[M+K]+ 308.04504 161.6
[M+H-H2O]+ 252.07914 154.3
[M+HCOO]- 314.08008 177.3
[M+CH3COO]- 328.09573 196.0
[M+Na-2H]- 290.05655 162.2
[M]+ 269.08133 162.7
[M]- 269.08243 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe