CID 3062178

Nicotinamide, 1,4-dihydro-n,1-bis(2,3-xylyl)-2,6-dimethyl-4-oxo-, monohydrochloride

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=C(N(C(=CC2=O)C)C3=CC=CC(=C3C)C)C)C
InChI
InChI=1S/C24H26N2O2/c1-14-9-7-11-20(17(14)4)25-24(28)23-19(6)26(16(3)13-22(23)27)21-12-8-10-15(2)18(21)5/h7-13H,1-6H3,(H,25,28)
InChIKey
QZKDSFYJIQEVDD-UHFFFAOYSA-N
Compound name
N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.19943 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 194.9
[M+Na]+ 397.18865 212.0
[M+NH4]+ 392.23325 201.9
[M+K]+ 413.16259 203.2
[M-H]- 373.19215 201.8
[M+Na-2H]- 395.17410 203.9
[M]+ 374.19888 199.5
[M]- 374.19998 199.5
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

No patent data available for this compound.