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]+ 342.169996 181.4
[M+Na]+ 364.151938 188.6
[M-H]- 340.155444 189.1
[M+NH4]+ 359.196543 196.2
[M+K]+ 380.125878 186.2
[M+H-H2O]+ 324.159980 173.5
[M+HCOO]- 386.160921 198.6
[M+CH3COO]- 400.176571 216.0
[M+Na-2H]- 362.137386 183.2
[M]+ 341.16217142 181.9
[M]- 341.16326858 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.