CID 109227

Einecs 269-301-4

Structural Information

Molecular Formula
C17H15N4O2
SMILES
CC1=C(C(=O)NC(=C1N=NC2=CC=CC=C2)O)[N+]3=CC=CC=C3
InChI
InChI=1S/C17H14N4O2/c1-12-14(20-19-13-8-4-2-5-9-13)16(22)18-17(23)15(12)21-10-6-3-7-11-21/h2-11H,1H3,(H-,18,19,22,23)/p+1
InChIKey
JOQULYYNFDXJPC-UHFFFAOYSA-O
Compound name
6-hydroxy-4-methyl-5-phenyldiazenyl-3-pyridin-1-ium-1-yl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

307.1195 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12678 169.2
[M+Na]+ 330.10872 187.1
[M+NH4]+ 325.15332 177.3
[M+K]+ 346.08266 179.7
[M-H]- 306.11222 177.4
[M+Na-2H]- 328.09417 181.6
[M]+ 307.11895 174.4
[M]- 307.12005 174.4
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

patents stripe