CID 1241288

Diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C20H23NO6
SMILES
CCOC(=O)C1=C(N=C(C(=C1C2=CC(=C(C=C2)O)OC)C(=O)OCC)C)C
InChI
InChI=1S/C20H23NO6/c1-6-26-19(23)16-11(3)21-12(4)17(20(24)27-7-2)18(16)13-8-9-14(22)15(10-13)25-5/h8-10,22H,6-7H2,1-5H3
InChIKey
IOTGNPXNGUXQFE-UHFFFAOYSA-N
Compound name
diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

373.15253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.159806 186.1
[M+Na]+ 396.141748 194.4
[M-H]- 372.145254 191.0
[M+NH4]+ 391.186353 196.8
[M+K]+ 412.115688 192.3
[M+H-H2O]+ 356.149790 177.3
[M+HCOO]- 418.150731 205.1
[M+CH3COO]- 432.166381 219.0
[M+Na-2H]- 394.127196 184.4
[M]+ 373.15198142 194.1
[M]- 373.15307858 194.1
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.