CID 135591132

478253-81-5

Structural Information

Molecular Formula

C₁₇H₁₅ClN₄O₂S

SMILES

CCOC1=CC=CC(=C1O)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H15ClN4O2S/c1-2-24-14-9-5-6-11(15(14)23)10-19-22-16(20-21-17(22)25)12-7-3-4-8-13(12)18/h3-10,23H,2H2,1H3,(H,21,25)/b19-10+

InChIKey

NWOQCTWMRMVZKP-VXLYETTFSA-N

Compound name

3-(2-chlorophenyl)-4-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.06042 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	375.067696	185.2
[M+Na]+	397.049638	196.5
[M-H]-	373.053144	191.1
[M+NH4]+	392.094243	196.1
[M+K]+	413.023578	187.7
[M+H-H2O]+	357.057680	176.4
[M+HCOO]-	419.058621	197.5
[M+CH3COO]-	433.074271	195.4
[M+Na-2H]-	395.035086	184.7
[M]+	374.05987142	190.1
[M]-	374.06096858	190.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.