CID 2186459

606955-18-4

Structural Information

Molecular Formula
C17H10FN3OS
SMILES
C1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)F)/SC3=N2
InChI
InChI=1S/C17H10FN3OS/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
UKMUSQXOJFAGMW-GXDHUFHOSA-N
Compound name
(5E)-5-[(3-fluorophenyl)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

323.05286 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.060136 172.1
[M+Na]+ 346.042078 186.4
[M-H]- 322.045584 180.1
[M+NH4]+ 341.086683 188.1
[M+K]+ 362.016018 178.8
[M+H-H2O]+ 306.050120 163.3
[M+HCOO]- 368.051061 190.7
[M+CH3COO]- 382.066711 184.9
[M+Na-2H]- 344.027526 172.3
[M]+ 323.05231142 176.5
[M]- 323.05340858 176.5
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.