CID 16429659

606955-76-4

Structural Information

Molecular Formula
C17H10ClN3OS
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)Cl)/SC3=N2
InChI
InChI=1S/C17H10ClN3OS/c18-13-8-4-5-11(9-13)10-14-16(22)21-17(23-14)19-15(20-21)12-6-2-1-3-7-12/h1-10H/b14-10+
InChIKey
RAPOGWZOUAHKDD-GXDHUFHOSA-N
Compound name
(5E)-5-[(3-chlorophenyl)methylidene]-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.02332 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03060 177.8
[M+Na]+ 362.01254 192.7
[M-H]- 338.01604 187.0
[M+NH4]+ 357.05714 194.1
[M+K]+ 377.98648 184.4
[M+H-H2O]+ 322.02058 170.0
[M+HCOO]- 384.02152 192.7
[M+CH3COO]- 398.03717 190.6
[M+Na-2H]- 359.99799 177.9
[M]+ 339.02277 185.0
[M]- 339.02387 185.0
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.