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]+ 334.131676 179.3
[M+Na]+ 356.113618 186.8
[M-H]- 332.117124 183.7
[M+NH4]+ 351.158223 191.9
[M+K]+ 372.087558 180.9
[M+H-H2O]+ 316.121660 172.0
[M+HCOO]- 378.122601 194.7
[M+CH3COO]- 392.138251 214.4
[M+Na-2H]- 354.099066 178.7
[M]+ 333.12385142 179.6
[M]- 333.12494858 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.