CID 62970

Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C18H17Cl2NO4
SMILES
CCOC(=O)C1=C(C(=C(N=C1C)C)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl
InChI
InChI=1S/C18H17Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8H,5H2,1-4H3
InChIKey
REQRUBNOOIAHMG-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

16
Patents

381.05347 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.06075 179.9
[M+Na]+ 404.04269 191.2
[M-H]- 380.04619 185.9
[M+NH4]+ 399.08729 192.9
[M+K]+ 420.01663 186.0
[M+H-H2O]+ 364.05073 173.3
[M+HCOO]- 426.05167 191.4
[M+CH3COO]- 440.06732 218.5
[M+Na-2H]- 402.02814 178.7
[M]+ 381.05292 189.8
[M]- 381.05402 189.8
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