CID 54045

78005-05-7

Structural Information

Molecular Formula
C19H25N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2C)C(=O)OCC)C)C
InChI
InChI=1S/C19H24N2O4/c1-6-24-18(22)15-12(3)20-13(4)16(19(23)25-7-2)17(15)14-10-8-9-11-21(14)5/h8-11,17H,6-7H2,1-5H3/p+1
InChIKey
OURQSHYFQOVBGT-UHFFFAOYSA-O
Compound name
diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.18143 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18871 184.8
[M+Na]+ 368.17065 191.8
[M-H]- 344.17415 188.1
[M+NH4]+ 363.21525 194.9
[M+K]+ 384.14459 182.6
[M+H-H2O]+ 328.17869 178.4
[M+HCOO]- 390.17963 200.7
[M+CH3COO]- 404.19528 205.9
[M+Na-2H]- 366.15610 185.6
[M]+ 345.18088 186.8
[M]- 345.18198 186.8
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.