CID 135630492

478257-16-8

Structural Information

Molecular Formula
C19H18N4O2S
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C3=CC=CC(=C3O)CC=C
InChI
InChI=1S/C19H18N4O2S/c1-3-7-13-8-6-9-14(17(13)24)12-20-23-18(21-22-19(23)26)15-10-4-5-11-16(15)25-2/h3-6,8-12,24H,1,7H2,2H3,(H,22,26)/b20-12+
InChIKey
FDEFZVAPAWNBCX-UDWIEESQSA-N
Compound name
4-[(E)-(2-hydroxy-3-prop-2-enylphenyl)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

366.11505 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12233 188.0
[M+Na]+ 389.10427 201.8
[M+NH4]+ 384.14887 193.6
[M+K]+ 405.07821 193.9
[M-H]- 365.10777 191.8
[M+Na-2H]- 387.08972 195.1
[M]+ 366.11450 191.3
[M]- 366.11560 191.3
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.