CID 461735

178869-95-9

Structural Information

Molecular Formula

C₁₈H₁₈ClNO₄

SMILES

CC1=C(C=CO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C3CC3

InChI

InChI=1S/C18H18ClNO4/c1-10(12-3-4-12)24-18(22)15-9-13(5-6-16(15)19)20-17(21)14-7-8-23-11(14)2/h5-10,12H,3-4H2,1-2H3,(H,20,21)

InChIKey

HBGKPUISHSIPDD-UHFFFAOYSA-N

Compound name

1-cyclopropylethyl 2-chloro-5-[(2-methylfuran-3-carbonyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 347.09244 Da
Monoisotopic Mass: 3.9
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]+	348.099716	173.0
[M+Na]+	370.081658	181.6
[M-H]-	346.085164	184.2
[M+NH4]+	365.126263	182.6
[M+K]+	386.055598	177.7
[M+H-H2O]+	330.089700	166.7
[M+HCOO]-	392.090641	191.0
[M+CH3COO]-	406.106291	214.5
[M+Na-2H]-	368.067106	172.8
[M]+	347.09189142	181.1
[M]-	347.09298858	181.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.