CID 3074799

3,5-pyridinedicarboxamide, 1,4-dihydro-4-(2,4-dichlorophenyl)-2,6-dimethyl-n,n,n',n'-tetraethyl-

Structural Information

Molecular Formula
C23H31Cl2N3O2
SMILES
CCN(CC)C(=O)C1=C(NC(=C(C1C2=C(C=C(C=C2)Cl)Cl)C(=O)N(CC)CC)C)C
InChI
InChI=1S/C23H31Cl2N3O2/c1-7-27(8-2)22(29)19-14(5)26-15(6)20(23(30)28(9-3)10-4)21(19)17-12-11-16(24)13-18(17)25/h11-13,21,26H,7-10H2,1-6H3
InChIKey
FHQSTOOLRKZMBA-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-3-N,3-N,5-N,5-N-tetraethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.17932 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.18660 209.0
[M+Na]+ 474.16854 215.5
[M-H]- 450.17204 214.9
[M+NH4]+ 469.21314 219.0
[M+K]+ 490.14248 210.0
[M+H-H2O]+ 434.17658 201.4
[M+HCOO]- 496.17752 218.6
[M+CH3COO]- 510.19317 243.2
[M+Na-2H]- 472.15399 202.9
[M]+ 451.17877 215.9
[M]- 451.17987 215.9
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.