CID 68767

Isonixin

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CNC2=O
InChI
InChI=1S/C14H14N2O2/c1-9-5-3-6-10(2)12(9)16-14(18)11-7-4-8-15-13(11)17/h3-8H,1-2H3,(H,15,17)(H,16,18)
InChIKey
WJDDCFNFNAHLAF-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

2990
Patents

242.10553 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.112806 153.7
[M+Na]+ 265.094748 162.1
[M-H]- 241.098254 158.4
[M+NH4]+ 260.139353 169.0
[M+K]+ 281.068688 157.5
[M+H-H2O]+ 225.102790 145.8
[M+HCOO]- 287.103731 176.1
[M+CH3COO]- 301.119381 193.3
[M+Na-2H]- 263.080196 158.4
[M]+ 242.10498142 152.6
[M]- 242.10607858 152.6
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

patents stripe