CID 135493964

Nsc685232

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CC1=CC=C(C=C1)C2=NNC(=O)N2/N=C/C3=CC=CC=C3O
InChI
InChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)15-18-19-16(22)20(15)17-10-13-4-2-3-5-14(13)21/h2-10,21H,1H3,(H,19,22)/b17-10+
InChIKey
XUQJUCVDMIHNCH-LICLKQGHSA-N
Compound name
4-[(E)-(2-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)-1H-1,2,4-triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 167.3
[M+Na]+ 317.10088 177.1
[M-H]- 293.10438 173.1
[M+NH4]+ 312.14548 179.4
[M+K]+ 333.07482 170.6
[M+H-H2O]+ 277.10892 157.2
[M+HCOO]- 339.10986 189.4
[M+CH3COO]- 353.12551 178.6
[M+Na-2H]- 315.08633 171.2
[M]+ 294.11111 167.2
[M]- 294.11221 167.2
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.