CID 3074798

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

Structural Information

Molecular Formula
C17H19Cl2N3O2
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC)C2=C(C=C(C=C2)Cl)Cl)C(=O)NC
InChI
InChI=1S/C17H19Cl2N3O2/c1-8-13(16(23)20-3)15(11-6-5-10(18)7-12(11)19)14(9(2)22-8)17(24)21-4/h5-7,15,22H,1-4H3,(H,20,23)(H,21,24)
InChIKey
LXSKTGQUUMYRHA-UHFFFAOYSA-N
Compound name
4-(2,4-dichlorophenyl)-3-N,5-N,2,6-tetramethyl-1,4-dihydropyridine-3,5-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.08542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09270 184.8
[M+Na]+ 390.07464 193.5
[M-H]- 366.07814 188.8
[M+NH4]+ 385.11924 196.9
[M+K]+ 406.04858 186.5
[M+H-H2O]+ 350.08268 178.5
[M+HCOO]- 412.08362 195.2
[M+CH3COO]- 426.09927 219.7
[M+Na-2H]- 388.06009 182.8
[M]+ 367.08487 186.9
[M]- 367.08597 186.9
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.