CID 2748275

Dimethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)OC)O)C(=O)OC
InChI
InChI=1S/C18H21NO6/c1-9-13(17(21)24-4)15(14(10(2)19-9)18(22)25-5)11-7-6-8-12(23-3)16(11)20/h6-8,15,19-20H,1-5H3
InChIKey
MGIDSCTVZPOKAV-UHFFFAOYSA-N
Compound name
dimethyl 4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.1369 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.144176 178.7
[M+Na]+ 370.126118 186.5
[M-H]- 346.129624 182.3
[M+NH4]+ 365.170723 189.8
[M+K]+ 386.100058 184.2
[M+H-H2O]+ 330.134160 170.8
[M+HCOO]- 392.135101 195.4
[M+CH3COO]- 406.150751 211.3
[M+Na-2H]- 368.111566 176.6
[M]+ 347.13635142 182.9
[M]- 347.13744858 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe