CID 1554617

606954-55-6

Structural Information

Molecular Formula
C19H12FN3O2S
SMILES
C1=CC=C(C=C1)CC2=NN3C(=O)/C(=C/C4=CC=CC=C4F)/SC3=NC2=O
InChI
InChI=1S/C19H12FN3O2S/c20-14-9-5-4-8-13(14)11-16-18(25)23-19(26-16)21-17(24)15(22-23)10-12-6-2-1-3-7-12/h1-9,11H,10H2/b16-11-
InChIKey
UOHZZXVNYSVVJQ-WJDWOHSUSA-N
Compound name
(2Z)-6-benzyl-2-[(2-fluorophenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

365.06342 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.07070 183.9
[M+Na]+ 388.05264 197.9
[M-H]- 364.05614 191.2
[M+NH4]+ 383.09724 196.1
[M+K]+ 404.02658 189.0
[M+H-H2O]+ 348.06068 173.5
[M+HCOO]- 410.06162 200.9
[M+CH3COO]- 424.07727 195.3
[M+Na-2H]- 386.03809 185.5
[M]+ 365.06287 188.5
[M]- 365.06397 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.