CID 135509211

Nsc681537

Structural Information

Molecular Formula
C15H12N4O2
SMILES
C1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C15H12N4O2/c20-13-9-5-4-8-12(13)10-16-19-14(17-18-15(19)21)11-6-2-1-3-7-11/h1-10,20H,(H,18,21)/b16-10+
InChIKey
WKTJNNKHTHFTNL-MHWRWJLKSA-N
Compound name
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 162.2
[M+Na]+ 303.08526 171.5
[M-H]- 279.08876 167.7
[M+NH4]+ 298.12986 174.5
[M+K]+ 319.05920 165.1
[M+H-H2O]+ 263.09330 152.0
[M+HCOO]- 325.09424 184.6
[M+CH3COO]- 339.10989 173.5
[M+Na-2H]- 301.07071 167.3
[M]+ 280.09549 161.3
[M]- 280.09659 161.3
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.