CID 1636979

Brn 5599034

Structural Information

Molecular Formula
C17H10ClN3OS
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C\C4=CC=C(C=C4)Cl)/S3
InChI
InChI=1S/C17H10ClN3OS/c18-13-8-6-11(7-9-13)10-14-16(22)21-15(19-20-17(21)23-14)12-4-2-1-3-5-12/h1-10H/b14-10+
InChIKey
JZTVPEOAZRMXRO-GXDHUFHOSA-N
Compound name
(6E)-6-[(4-chlorophenyl)methylidene]-3-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.02332 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03060 175.1
[M+Na]+ 362.01254 193.1
[M+NH4]+ 357.05714 184.2
[M+K]+ 377.98648 184.9
[M-H]- 338.01604 180.6
[M+Na-2H]- 359.99799 184.8
[M]+ 339.02277 180.2
[M]- 339.02387 180.2
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.