CID 45050957

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

Structural Information

Molecular Formula
C20H24ClNO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)OC)Cl)C(=O)OCC)C)C
InChI
InChI=1S/C20H24ClNO5/c1-6-26-19(23)15-11(3)22-12(4)16(20(24)27-7-2)17(15)13-9-8-10-14(25-5)18(13)21/h8-10,17,22H,6-7H2,1-5H3
InChIKey
PXUYVVGSRUZRQN-UHFFFAOYSA-N
Compound name
diethyl 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

393.1343 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14158 189.2
[M+Na]+ 416.12352 197.6
[M-H]- 392.12702 193.7
[M+NH4]+ 411.16812 200.2
[M+K]+ 432.09746 193.2
[M+H-H2O]+ 376.13156 181.7
[M+HCOO]- 438.13250 202.2
[M+CH3COO]- 452.14815 220.6
[M+Na-2H]- 414.10897 186.2
[M]+ 393.13375 196.8
[M]- 393.13485 196.8
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.