CID 14420

1165-06-6

Structural Information

Molecular Formula
C19H23NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C)C
InChI
InChI=1S/C19H23NO4/c1-5-23-18(21)15-12(3)20-13(4)16(19(22)24-6-2)17(15)14-10-8-7-9-11-14/h7-11,17,20H,5-6H2,1-4H3
InChIKey
VQZSDRXKLXBRHJ-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

92
Patents

329.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 178.3
[M+Na]+ 352.15194 184.8
[M-H]- 328.15544 182.3
[M+NH4]+ 347.19654 190.5
[M+K]+ 368.12588 181.3
[M+H-H2O]+ 312.15998 169.9
[M+HCOO]- 374.16092 196.0
[M+CH3COO]- 388.17657 209.3
[M+Na-2H]- 350.13739 177.3
[M]+ 329.16217 181.0
[M]- 329.16327 181.0
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

patents stripe