CID 111890

68957-36-8

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CC1=CC(=O)N(C(=C1C#N)O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H11N3O2/c1-8-6-12(17)16(13(18)11(8)7-14)10-4-2-9(15)3-5-10/h2-6,18H,15H2,1H3
InChIKey
PTVYZHHPMDEDLL-UHFFFAOYSA-N
Compound name
1-(4-aminophenyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 157.4
[M+Na]+ 264.07435 169.3
[M-H]- 240.07785 160.9
[M+NH4]+ 259.11895 171.2
[M+K]+ 280.04829 164.1
[M+H-H2O]+ 224.08239 143.4
[M+HCOO]- 286.08333 176.3
[M+CH3COO]- 300.09898 205.0
[M+Na-2H]- 262.05980 160.2
[M]+ 241.08458 151.7
[M]- 241.08568 151.7
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.