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]+ 340.030596 177.8
[M+Na]+ 362.012538 192.7
[M-H]- 338.016044 187.0
[M+NH4]+ 357.057143 194.1
[M+K]+ 377.986478 184.4
[M+H-H2O]+ 322.020580 170.0
[M+HCOO]- 384.021521 192.7
[M+CH3COO]- 398.037171 190.6
[M+Na-2H]- 359.997986 177.9
[M]+ 339.02277142 185.0
[M]- 339.02386858 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.