CID 135608289

478254-30-7

Structural Information

Molecular Formula
C18H15ClN4OS
SMILES
C=CCC1=C(C(=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C18H15ClN4OS/c1-2-6-12-7-5-8-13(16(12)24)11-20-23-17(21-22-18(23)25)14-9-3-4-10-15(14)19/h2-5,7-11,24H,1,6H2,(H,22,25)/b20-11+
InChIKey
HAGCRBJGMNFWPG-RGVLZGJSSA-N
Compound name
3-(2-chlorophenyl)-4-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06552 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07280 187.2
[M+Na]+ 393.05474 202.5
[M+NH4]+ 388.09934 193.8
[M+K]+ 409.02868 193.3
[M-H]- 369.05824 191.6
[M+Na-2H]- 391.04019 195.0
[M]+ 370.06497 191.3
[M]- 370.06607 191.3
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.