CID 6878847

478256-15-4

Structural Information

Molecular Formula
C19H20N4S
SMILES
CC1=CC(=CC=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C19H20N4S/c1-13(2)16-9-7-15(8-10-16)12-20-23-18(21-22-19(23)24)17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H,22,24)/b20-12+
InChIKey
FTYRXHHTLGOXDR-UDWIEESQSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.14087 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14815 180.7
[M+Na]+ 359.13009 190.4
[M-H]- 335.13359 187.6
[M+NH4]+ 354.17469 192.9
[M+K]+ 375.10403 182.5
[M+H-H2O]+ 319.13813 171.1
[M+HCOO]- 381.13907 197.1
[M+CH3COO]- 395.15472 191.1
[M+Na-2H]- 357.11554 179.5
[M]+ 336.14032 182.5
[M]- 336.14142 182.5
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.