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 181.4
[M+Na]+ 364.15194 188.6
[M-H]- 340.15544 189.1
[M+NH4]+ 359.19654 196.2
[M+K]+ 380.12588 186.2
[M+H-H2O]+ 324.15998 173.5
[M+HCOO]- 386.16092 198.6
[M+CH3COO]- 400.17657 216.0
[M+Na-2H]- 362.13739 183.2
[M]+ 341.16217 181.9
[M]- 341.16327 181.9
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.