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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06075 186.0
[M+Na]+ 404.04269 195.0
[M-H]- 380.04619 193.1
[M+NH4]+ 399.08729 198.9
[M+K]+ 420.01663 190.2
[M+H-H2O]+ 364.05073 179.8
[M+HCOO]- 426.05167 194.5
[M+CH3COO]- 440.06732 219.5
[M+Na-2H]- 402.02814 185.8
[M]+ 381.05292 189.8
[M]- 381.05402 189.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.