CID 6879441

5-(3-ethoxyphenyl)-4-((2-methoxybenzylidene)amino)-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CCOC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3OC
InChI
InChI=1S/C18H18N4O2S/c1-3-24-15-9-6-8-13(11-15)17-20-21-18(25)22(17)19-12-14-7-4-5-10-16(14)23-2/h4-12H,3H2,1-2H3,(H,21,25)/b19-12+
InChIKey
UFBKZNGGIKFNCR-XDHOZWIPSA-N
Compound name
3-(3-ethoxyphenyl)-4-[(E)-(2-methoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11505 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 183.3
[M+Na]+ 377.10427 197.5
[M+NH4]+ 372.14887 189.7
[M+K]+ 393.07821 189.4
[M-H]- 353.10777 187.8
[M+Na-2H]- 375.08972 191.7
[M]+ 354.11450 187.0
[M]- 354.11560 187.0
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.