CID 782061

Dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CN=CC=C2)C(=O)OC
InChI
InChI=1S/C16H18N2O4/c1-9-12(15(19)21-3)14(11-6-5-7-17-8-11)13(10(2)18-9)16(20)22-4/h5-8,14,18H,1-4H3
InChIKey
HQPKQZOVCGHZFY-UHFFFAOYSA-N
Compound name
dimethyl 2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

302.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.133926 169.5
[M+Na]+ 325.115868 177.3
[M-H]- 301.119374 172.7
[M+NH4]+ 320.160473 181.4
[M+K]+ 341.089808 174.2
[M+H-H2O]+ 285.123910 160.8
[M+HCOO]- 347.124851 186.8
[M+CH3COO]- 361.140501 203.1
[M+Na-2H]- 323.101316 170.1
[M]+ 302.12610142 171.6
[M]- 302.12719858 171.6
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