CID 5592477

4-[(z)-(3,4-dichlorophenyl)methylideneamino]-3-pyridin-2-yl-1h-1,2,4-triazole-5-thione

Structural Information

Molecular Formula
C14H9Cl2N5S
SMILES
C1=CC=NC(=C1)C2=NNC(=S)N2/N=C\C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C14H9Cl2N5S/c15-10-5-4-9(7-11(10)16)8-18-21-13(19-20-14(21)22)12-3-1-2-6-17-12/h1-8H,(H,20,22)/b18-8-
InChIKey
DESNBABIUQXMHZ-LSCVHKIXSA-N
Compound name
4-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.99557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.00285 175.9
[M+Na]+ 371.98479 188.7
[M-H]- 347.98829 180.9
[M+NH4]+ 367.02939 187.4
[M+K]+ 387.95873 179.2
[M+H-H2O]+ 331.99283 166.5
[M+HCOO]- 393.99377 183.5
[M+CH3COO]- 408.00942 186.3
[M+Na-2H]- 369.97024 176.5
[M]+ 348.99502 179.7
[M]- 348.99612 179.7
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.