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 184.5
[M+Na]+ 390.06829 198.4
[M-H]- 366.07179 192.6
[M+NH4]+ 385.11289 198.9
[M+K]+ 406.04223 191.0
[M+H-H2O]+ 350.07633 175.5
[M+HCOO]- 412.07727 202.6
[M+CH3COO]- 426.09292 196.5
[M+Na-2H]- 388.05374 183.2
[M]+ 367.07852 191.2
[M]- 367.07962 191.2
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.