CID 2767689

Ethyl 2-amino-4-(2,4-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydro-4h-chromene-3-carboxylate

Structural Information

Molecular Formula

C₁₈H₁₇Cl₂NO₄

SMILES

CCOC(=O)C1=C(OC2=C(C1C3=C(C=C(C=C3)Cl)Cl)C(=O)CCC2)N

InChI

InChI=1S/C18H17Cl2NO4/c1-2-24-18(23)16-14(10-7-6-9(19)8-11(10)20)15-12(22)4-3-5-13(15)25-17(16)21/h6-8,14H,2-5,21H2,1H3

InChIKey

ZDTQFBIXGREMGW-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4-(2,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.05347 Da
Monoisotopic Mass: 3.8
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]+	382.060746	186.0
[M+Na]+	404.042688	195.0
[M-H]-	380.046194	193.1
[M+NH4]+	399.087293	198.9
[M+K]+	420.016628	190.2
[M+H-H2O]+	364.050730	179.8
[M+HCOO]-	426.051671	194.5
[M+CH3COO]-	440.067321	219.5
[M+Na-2H]-	402.028136	185.8
[M]+	381.05292142	189.8
[M]-	381.05401858	189.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.