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 187.1
[M+Na]+ 389.10427 197.2
[M-H]- 365.10777 192.9
[M+NH4]+ 384.14887 197.3
[M+K]+ 405.07821 188.5
[M+H-H2O]+ 349.11231 177.6
[M+HCOO]- 411.11325 203.5
[M+CH3COO]- 425.12890 196.9
[M+Na-2H]- 387.08972 186.1
[M]+ 366.11450 190.0
[M]- 366.11560 190.0
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.