CID 2139185

606955-37-7

Structural Information

Molecular Formula
C19H14FN3O2S
SMILES
CCOC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=CC=C4)F)/SC3=N2
InChI
InChI=1S/C19H14FN3O2S/c1-2-25-15-8-6-13(7-9-15)17-21-19-23(22-17)18(24)16(26-19)11-12-4-3-5-14(20)10-12/h3-11H,2H2,1H3/b16-11+
InChIKey
JSGIIJMFKORYRR-LFIBNONCSA-N
Compound name
(5E)-2-(4-ethoxyphenyl)-5-[(3-fluorophenyl)methylidene]-[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

367.07907 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08635 185.3
[M+Na]+ 390.06829 200.7
[M+NH4]+ 385.11289 192.3
[M+K]+ 406.04223 193.9
[M-H]- 366.07179 188.7
[M+Na-2H]- 388.05374 192.9
[M]+ 367.07852 188.9
[M]- 367.07962 188.9
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.