CID 9638127

478256-94-9

Structural Information

Molecular Formula
C19H18N4OS
SMILES
C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3OC
InChI
InChI=1S/C19H18N4OS/c1-14(12-15-8-4-3-5-9-15)13-20-23-18(21-22-19(23)25)16-10-6-7-11-17(16)24-2/h3-13H,1-2H3,(H,22,25)/b14-12+,20-13+
InChIKey
RMPSFSMFNGYXJK-OCRAYANJSA-N
Compound name
3-(2-methoxyphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12012 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12740 182.6
[M+Na]+ 373.10934 196.4
[M+NH4]+ 368.15394 189.0
[M+K]+ 389.08328 188.2
[M-H]- 349.11284 187.1
[M+Na-2H]- 371.09479 191.1
[M]+ 350.11957 186.2
[M]- 350.12067 186.2
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.