CID 3074797

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

Structural Information

Molecular Formula
C17H20ClN3O2
SMILES
CC1=C(C(C(=C(N1)C)C(=O)NC)C2=CC=CC=C2Cl)C(=O)NC
InChI
InChI=1S/C17H20ClN3O2/c1-9-13(16(22)19-3)15(11-7-5-6-8-12(11)18)14(10(2)21-9)17(23)20-4/h5-8,15,21H,1-4H3,(H,19,22)(H,20,23)
InChIKey
JRGCIKRNIQEESC-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-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

333.1244 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.13168 179.3
[M+Na]+ 356.11362 186.8
[M-H]- 332.11712 183.7
[M+NH4]+ 351.15822 191.9
[M+K]+ 372.08756 180.9
[M+H-H2O]+ 316.12166 172.0
[M+HCOO]- 378.12260 194.7
[M+CH3COO]- 392.13825 214.4
[M+Na-2H]- 354.09907 178.7
[M]+ 333.12385 179.6
[M]- 333.12495 179.6
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.