CID 2767701

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

Structural Information

Molecular Formula
C18H18ClNO4
SMILES
CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3Cl)C(=O)CCC2)N
InChI
InChI=1S/C18H18ClNO4/c1-2-23-18(22)16-14(10-6-3-4-7-11(10)19)15-12(21)8-5-9-13(15)24-17(16)20/h3-4,6-7,14H,2,5,8-9,20H2,1H3
InChIKey
KNTWGJYREMHVJQ-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(2-chlorophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09244 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.09972 179.9
[M+Na]+ 370.08166 187.7
[M-H]- 346.08516 187.5
[M+NH4]+ 365.12626 193.3
[M+K]+ 386.05560 183.8
[M+H-H2O]+ 330.08970 172.7
[M+HCOO]- 392.09064 193.4
[M+CH3COO]- 406.10629 214.1
[M+Na-2H]- 368.06711 181.1
[M]+ 347.09189 181.8
[M]- 347.09299 181.8
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.