CID 50590

Cyprofuram

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₃

SMILES

C1CC1C(=O)N(C2CCOC2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C14H14ClNO3/c15-10-2-1-3-11(8-10)16(13(17)9-4-5-9)12-6-7-19-14(12)18/h1-3,8-9,12H,4-7H2

InChIKey

KRZUZYJEQBXUIN-UHFFFAOYSA-N

Compound name

N-(3-chlorophenyl)-N-(2-oxooxolan-3-yl)cyclopropanecarboxamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 8818
Patents: 279.06622 Da
Monoisotopic Mass: 2.5
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]+	280.07350	157.6
[M+Na]+	302.05544	165.8
[M-H]-	278.05894	169.5
[M+NH4]+	297.10004	170.1
[M+K]+	318.02938	163.1
[M+H-H2O]+	262.06348	151.2
[M+HCOO]-	324.06442	176.1
[M+CH3COO]-	338.08007	202.7
[M+Na-2H]-	300.04089	159.4
[M]+	279.06567	162.0
[M]-	279.06677	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe