CID 6879921

478254-94-3

Structural Information

Molecular Formula
C17H12Cl2N4S
SMILES
C1=CC=C(C=C1)/C=C(/C=N/N2C(=NNC2=S)C3=CC(=CC=C3)Cl)\Cl
InChI
InChI=1S/C17H12Cl2N4S/c18-14-8-4-7-13(10-14)16-21-22-17(24)23(16)20-11-15(19)9-12-5-2-1-3-6-12/h1-11H,(H,22,24)/b15-9-,20-11+
InChIKey
ZJJHAUTVXSLYQK-MCAKNHNZSA-N
Compound name
3-(3-chlorophenyl)-4-[(E)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.01596 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02324 184.9
[M+Na]+ 397.00518 200.8
[M+NH4]+ 392.04978 192.5
[M+K]+ 412.97912 190.7
[M-H]- 373.00868 189.7
[M+Na-2H]- 394.99063 193.9
[M]+ 374.01541 189.5
[M]- 374.01651 189.5
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.