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]+ 375.206706 193.0
[M+Na]+ 397.188648 203.1
[M-H]- 373.192154 202.8
[M+NH4]+ 392.233253 204.4
[M+K]+ 413.162588 197.1
[M+H-H2O]+ 357.196690 182.9
[M+HCOO]- 419.197631 214.5
[M+CH3COO]- 433.213281 228.0
[M+Na-2H]- 395.174096 191.6
[M]+ 374.19888142 196.6
[M]- 374.19997858 196.6
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.