CID 135407354

Acetic acid, (1h-1,2,4-triazol-5-ylthio)-, [(1e)-1-(4-hydroxyphenyl)ethylidene]hydrazide

Structural Information

Molecular Formula
C12H13N5O2S
SMILES
C/C(=N\NC(=O)CSC1=NC=NN1)/C2=CC=C(C=C2)O
InChI
InChI=1S/C12H13N5O2S/c1-8(9-2-4-10(18)5-3-9)15-16-11(19)6-20-12-13-7-14-17-12/h2-5,7,18H,6H2,1H3,(H,16,19)(H,13,14,17)/b15-8+
InChIKey
SLHHCYIWBCTZDA-OVCLIPMQSA-N
Compound name
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.079 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.08628 163.7
[M+Na]+ 314.06822 170.2
[M-H]- 290.07172 165.7
[M+NH4]+ 309.11282 175.9
[M+K]+ 330.04216 165.6
[M+H-H2O]+ 274.07626 154.8
[M+HCOO]- 336.07720 180.0
[M+CH3COO]- 350.09285 199.3
[M+Na-2H]- 312.05367 165.5
[M]+ 291.07845 163.9
[M]- 291.07955 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.