CID 9664342

497823-67-3

Structural Information

Molecular Formula
C14H10BrN5S
SMILES
C1=CC=C(C(=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)Br
InChI
InChI=1S/C14H10BrN5S/c15-11-6-2-1-5-10(11)9-17-20-13(18-19-14(20)21)12-7-3-4-8-16-12/h1-9H,(H,19,21)/b17-9+
InChIKey
FODKNWNJTLDAEB-RQZCQDPDSA-N
Compound name
4-[(E)-(2-bromophenyl)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

358.98404 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.99132 160.8
[M+Na]+ 381.97326 175.3
[M-H]- 357.97676 169.3
[M+NH4]+ 377.01786 174.9
[M+K]+ 397.94720 160.2
[M+H-H2O]+ 341.98130 158.7
[M+HCOO]- 403.98224 177.1
[M+CH3COO]- 417.99789 174.4
[M+Na-2H]- 379.95871 166.1
[M]+ 358.98349 180.4
[M]- 358.98459 180.4
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.