CID 1846493

4-[[(2,4-dimethoxyphenyl)methylene]amino]-2,4-dihydro-5-(2-methoxyphenyl)-3h-1,2,4-triazole-3-thione

Structural Information

Molecular Formula

C₁₈H₁₈N₄O₃S

SMILES

COC1=CC(=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=C3OC)OC

InChI

InChI=1S/C18H18N4O3S/c1-23-13-9-8-12(16(10-13)25-3)11-19-22-17(20-21-18(22)26)14-6-4-5-7-15(14)24-2/h4-11H,1-3H3,(H,21,26)

InChIKey

JLTXAYQZCIPNSZ-UHFFFAOYSA-N

Compound name

4-[(2,4-dimethoxyphenyl)methylideneamino]-3-(2-methoxyphenyl)-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 370.10995 Da
Monoisotopic Mass: 3.2
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]+	371.117226	186.4
[M+Na]+	393.099168	196.8
[M-H]-	369.102674	193.7
[M+NH4]+	388.143773	197.1
[M+K]+	409.073108	190.4
[M+H-H2O]+	353.107210	176.5
[M+HCOO]-	415.108151	204.6
[M+CH3COO]-	429.123801	216.3
[M+Na-2H]-	391.084616	186.4
[M]+	370.10940142	192.7
[M]-	370.11049858	192.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.