CID 6878358

478256-27-8

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CCCOC1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC(=C3)C
InChI
InChI=1S/C19H20N4OS/c1-3-11-24-17-9-7-15(8-10-17)13-20-23-18(21-22-19(23)25)16-6-4-5-14(2)12-16/h4-10,12-13H,3,11H2,1-2H3,(H,22,25)/b20-13+
InChIKey
DBDBIKKFWAACNL-DEDYPNTBSA-N
Compound name
3-(3-methylphenyl)-4-[(E)-(4-propoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 184.3
[M+Na]+ 375.12499 198.8
[M+NH4]+ 370.16959 191.1
[M+K]+ 391.09893 189.9
[M-H]- 351.12849 189.3
[M+Na-2H]- 373.11044 192.8
[M]+ 352.13522 188.2
[M]- 352.13632 188.2
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.