CID 3120980

Ethyl 2-amino-7,7-dimethyl-5-oxo-4-phenyl-5,6,7,8-tetrahydro-4h-chromene-3-carboxylate

Structural Information

Molecular Formula
C20H23NO4
SMILES
CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)N
InChI
InChI=1S/C20H23NO4/c1-4-24-19(23)17-15(12-8-6-5-7-9-12)16-13(22)10-20(2,3)11-14(16)25-18(17)21/h5-9,15H,4,10-11,21H2,1-3H3
InChIKey
LRNXUFGJTBOSHN-UHFFFAOYSA-N
Compound name
ethyl 2-amino-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydro-4H-chromene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

341.16272 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 180.7
[M+Na]+ 364.15194 193.3
[M+NH4]+ 359.19654 189.2
[M+K]+ 380.12588 185.1
[M-H]- 340.15544 186.2
[M+Na-2H]- 362.13739 186.5
[M]+ 341.16217 184.2
[M]- 341.16327 184.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.