CID 135651111

478255-52-6

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CCOC1=CC=CC(=C1O)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C
InChI
InChI=1S/C18H18N4O2S/c1-3-24-15-9-5-8-14(16(15)23)11-19-22-17(20-21-18(22)25)13-7-4-6-12(2)10-13/h4-11,23H,3H2,1-2H3,(H,21,25)/b19-11+
InChIKey
ICLYUUYOTAUSLA-YBFXNURJSA-N
Compound name
4-[(E)-(3-ethoxy-2-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

354.11505 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12233 184.2
[M+Na]+ 377.10427 198.2
[M+NH4]+ 372.14887 190.3
[M+K]+ 393.07821 190.7
[M-H]- 353.10777 188.4
[M+Na-2H]- 375.08972 191.8
[M]+ 354.11450 187.8
[M]- 354.11560 187.8
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.