CID 6865356

478255-69-5

Structural Information

Molecular Formula
C16H14N4OS
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C16H14N4OS/c1-11-4-2-6-13(8-11)15-18-19-16(22)20(15)17-10-12-5-3-7-14(21)9-12/h2-10,21H,1H3,(H,19,22)/b17-10+
InChIKey
UASGGCJGKRZJPF-LICLKQGHSA-N
Compound name
4-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(3-methylphenyl)-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08884 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09612 171.4
[M+Na]+ 333.07806 185.9
[M+NH4]+ 328.12266 178.4
[M+K]+ 349.05200 178.1
[M-H]- 309.08156 176.0
[M+Na-2H]- 331.06351 180.1
[M]+ 310.08829 175.1
[M]- 310.08939 175.1
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.