CID 20111326

Brn 5599033

Structural Information

Molecular Formula
C17H10FN3OS
SMILES
C1=CC=C(C=C1)C2=NN=C3N2C(=O)/C(=C\C4=CC=C(C=C4)F)/S3
InChI
InChI=1S/C17H10FN3OS/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
ZBEQVTFFFMOXSX-GXDHUFHOSA-N
Compound name
(6E)-6-[(4-fluorophenyl)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

323.05286 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06014 172.1
[M+Na]+ 346.04208 186.4
[M-H]- 322.04558 180.1
[M+NH4]+ 341.08668 188.1
[M+K]+ 362.01602 178.8
[M+H-H2O]+ 306.05012 163.3
[M+HCOO]- 368.05106 190.7
[M+CH3COO]- 382.06671 184.9
[M+Na-2H]- 344.02753 172.3
[M]+ 323.05231 176.5
[M]- 323.05341 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.