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]+ 345.180876 183.6
[M+Na]+ 367.162818 190.0
[M-H]- 343.166324 187.3
[M+NH4]+ 362.207423 194.7
[M+K]+ 383.136758 186.3
[M+H-H2O]+ 327.170860 175.0
[M+HCOO]- 389.171801 201.5
[M+CH3COO]- 403.187451 215.4
[M+Na-2H]- 365.148266 181.1
[M]+ 344.17305142 184.8
[M]- 344.17414858 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

literature stripe

Patent stripe

patents stripe