CID 45050954

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

Structural Information

Molecular Formula
C18H20ClNO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(C(=CC=C2)OC)Cl)C(=O)OC
InChI
InChI=1S/C18H20ClNO5/c1-9-13(17(21)24-4)15(14(10(2)20-9)18(22)25-5)11-7-6-8-12(23-3)16(11)19/h6-8,15,20H,1-5H3
InChIKey
KGERUBZZMUHTLA-UHFFFAOYSA-N
Compound name
dimethyl 4-(2-chloro-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11028 180.0
[M+Na]+ 388.09222 189.3
[M-H]- 364.09572 184.9
[M+NH4]+ 383.13682 192.2
[M+K]+ 404.06616 185.3
[M+H-H2O]+ 348.10026 172.9
[M+HCOO]- 410.10120 193.7
[M+CH3COO]- 424.11685 214.8
[M+Na-2H]- 386.07767 178.1
[M]+ 365.10245 186.9
[M]- 365.10355 186.9
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

No patent data available for this compound.