CID 42850

Ofurace

Structural Information

Molecular Formula

C₁₄H₁₆ClNO₃

SMILES

CC1=C(C(=CC=C1)C)N(C2CCOC2=O)C(=O)CCl

InChI

InChI=1S/C14H16ClNO3/c1-9-4-3-5-10(2)13(9)16(12(17)8-15)11-6-7-19-14(11)18/h3-5,11H,6-8H2,1-2H3

InChIKey

OWDLFBLNMPCXSD-UHFFFAOYSA-N

Compound name

2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxooxolan-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 3
References: 24929
Patents: 281.08188 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	282.08916	162.0
[M+Na]+	304.07110	173.6
[M+NH4]+	299.11570	169.7
[M+K]+	320.04504	169.8
[M-H]-	280.07460	166.6
[M+Na-2H]-	302.05655	167.0
[M]+	281.08133	165.1
[M]-	281.08243	165.1

Literature stripe

literature stripe

Patent stripe

patents stripe