CID 210878

Diethyl 1,4-dihydro-4-(p-aminophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)N)C(=O)OCC)C)C
InChI
InChI=1S/C19H24N2O4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-7-9-14(20)10-8-13/h7-10,17,21H,5-6,20H2,1-4H3
InChIKey
XSTWGEIJZYONEP-UHFFFAOYSA-N
Compound name
diethyl 4-(4-aminophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.1736 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 183.6
[M+Na]+ 367.16282 190.0
[M-H]- 343.16632 187.3
[M+NH4]+ 362.20742 194.7
[M+K]+ 383.13676 186.3
[M+H-H2O]+ 327.17086 175.0
[M+HCOO]- 389.17180 201.5
[M+CH3COO]- 403.18745 215.4
[M+Na-2H]- 365.14827 181.1
[M]+ 344.17305 184.8
[M]- 344.17415 184.8
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.