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]+ 348.14418 178.7
[M+Na]+ 370.12612 186.5
[M-H]- 346.12962 182.3
[M+NH4]+ 365.17072 189.8
[M+K]+ 386.10006 184.2
[M+H-H2O]+ 330.13416 170.8
[M+HCOO]- 392.13510 195.4
[M+CH3COO]- 406.15075 211.3
[M+Na-2H]- 368.11157 176.6
[M]+ 347.13635 182.9
[M]- 347.13745 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