CID 1843708

478256-17-6

Structural Information

Molecular Formula
C19H18N4OS
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C=C/C3=CC=CC=C3OC
InChI
InChI=1S/C19H18N4OS/c1-14-7-5-9-16(13-14)18-21-22-19(25)23(18)20-12-6-10-15-8-3-4-11-17(15)24-2/h3-13H,1-2H3,(H,22,25)/b10-6+,20-12+
InChIKey
BZDYLSZYXAPTMD-UPINRHINSA-N
Compound name
4-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-3-(3-methylphenyl)-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 183.9
[M+Na]+ 373.10934 198.5
[M+NH4]+ 368.15394 190.5
[M+K]+ 389.08328 189.5
[M-H]- 349.11284 188.7
[M+Na-2H]- 371.09479 192.4
[M]+ 350.11957 187.7
[M]- 350.12067 187.7
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.