CID 619963

10354-30-0

Structural Information

Molecular Formula
C19H23NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)O)C(=O)OCC)C)C
InChI
InChI=1S/C19H23NO5/c1-5-24-18(22)15-11(3)20-12(4)16(19(23)25-6-2)17(15)13-7-9-14(21)10-8-13/h7-10,17,20-21H,5-6H2,1-4H3
InChIKey
NVMITRIIMPYSMB-UHFFFAOYSA-N
Compound name
diethyl 4-(4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

14
Patents

345.15762 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.164896 181.2
[M+Na]+ 368.146838 187.9
[M-H]- 344.150344 184.2
[M+NH4]+ 363.191443 192.2
[M+K]+ 384.120778 184.5
[M+H-H2O]+ 328.154880 173.1
[M+HCOO]- 390.155821 197.5
[M+CH3COO]- 404.171471 210.6
[M+Na-2H]- 366.132286 179.1
[M]+ 345.15707142 183.9
[M]- 345.15816858 183.9
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

patents stripe