CID 100556

79084-83-6

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC(=O)N(C(=C1C#N)O)NC2=CC=CC=C2
InChI
InChI=1S/C13H11N3O2/c1-9-7-12(17)16(13(18)11(9)8-14)15-10-5-3-2-4-6-10/h2-7,15,18H,1H3
InChIKey
LPNMGEFCVOZFQT-UHFFFAOYSA-N
Compound name
1-anilino-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

241.08513 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.092406 156.2
[M+Na]+ 264.074348 167.4
[M-H]- 240.077854 159.8
[M+NH4]+ 259.118953 169.9
[M+K]+ 280.048288 162.2
[M+H-H2O]+ 224.082390 141.9
[M+HCOO]- 286.083331 175.6
[M+CH3COO]- 300.098981 204.4
[M+Na-2H]- 262.059796 160.7
[M]+ 241.08458142 151.0
[M]- 241.08567858 151.0
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