CID 135630224

478256-09-6

Structural Information

Molecular Formula
C18H18N4O2S
SMILES
CCOC1=C(C=CC(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C)O
InChI
InChI=1S/C18H18N4O2S/c1-3-24-16-10-13(7-8-15(16)23)11-19-22-17(20-21-18(22)25)14-6-4-5-12(2)9-14/h4-11,23H,3H2,1-2H3,(H,21,25)/b19-11+
InChIKey
DARMOOFSZFZRDG-YBFXNURJSA-N
Compound name
4-[(E)-(3-ethoxy-4-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 183.3
[M+Na]+ 377.10427 193.6
[M-H]- 353.10777 189.3
[M+NH4]+ 372.14887 194.1
[M+K]+ 393.07821 185.8
[M+H-H2O]+ 337.11231 174.0
[M+HCOO]- 399.11325 199.9
[M+CH3COO]- 413.12890 193.5
[M+Na-2H]- 375.08972 182.8
[M]+ 354.11450 186.6
[M]- 354.11560 186.6
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.