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]+ 348.099716 179.9
[M+Na]+ 370.081658 187.7
[M-H]- 346.085164 187.5
[M+NH4]+ 365.126263 193.3
[M+K]+ 386.055598 183.8
[M+H-H2O]+ 330.089700 172.7
[M+HCOO]- 392.090641 193.4
[M+CH3COO]- 406.106291 214.1
[M+Na-2H]- 368.067106 181.1
[M]+ 347.09189142 181.8
[M]- 347.09298858 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.