CID 6878467

497920-22-6

Structural Information

Molecular Formula
C18H15ClN4OS
SMILES
COC1=CC=CC=C1C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/Cl
InChI
InChI=1S/C18H15ClN4OS/c1-24-16-10-6-5-9-15(16)17-21-22-18(25)23(17)20-12-14(19)11-13-7-3-2-4-8-13/h2-12H,1H3,(H,22,25)/b14-11-,20-12+
InChIKey
GEGXSMYWFCSESX-BHFKYQIGSA-N
Compound name
4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(2-methoxyphenyl)-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

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.07280 185.1
[M+Na]+ 393.05474 199.9
[M+NH4]+ 388.09934 191.9
[M+K]+ 409.02868 190.9
[M-H]- 369.05824 189.6
[M+Na-2H]- 391.04019 193.8
[M]+ 370.06497 189.1
[M]- 370.06607 189.1
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.