CID 60168629

Br-4628

Structural Information

Molecular Formula
C22H23NO5
SMILES
CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC3=C2OC(=CC3=O)C)C(=O)C)C)C
InChI
InChI=1S/C22H23NO5/c1-6-27-22(26)19-13(4)23-12(3)18(14(5)24)20(19)16-9-7-8-15-17(25)10-11(2)28-21(15)16/h7-10,20,23H,6H2,1-5H3/t20-/m1/s1
InChIKey
DXCPBIXBBLLGOZ-HXUWFJFHSA-N
Compound name
ethyl (4R)-5-acetyl-2,6-dimethyl-4-(2-methyl-4-oxochromen-8-yl)-1,4-dihydropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

381.15762 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 190.6
[M+Na]+ 404.14684 205.1
[M+NH4]+ 399.19144 195.8
[M+K]+ 420.12078 199.4
[M-H]- 380.15034 194.3
[M+Na-2H]- 402.13229 194.3
[M]+ 381.15707 193.6
[M]- 381.15817 193.6
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.