CID 3079457

Brn 6012684

Structural Information

Molecular Formula
C17H9FN4O4S
SMILES
C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NC(=O)N(C4=O)C5=CC=C(C=C5)F)S3
InChI
InChI=1S/C17H9FN4O4S/c18-10-2-4-11(5-3-10)21-15(23)19-16-22(17(21)24)20-14(27-16)9-1-6-12-13(7-9)26-8-25-12/h1-7H,8H2
InChIKey
BKFDQIBIFWMSJC-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.03287 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.04015 184.9
[M+Na]+ 407.02209 201.7
[M+NH4]+ 402.06669 191.2
[M+K]+ 422.99603 197.2
[M-H]- 383.02559 190.3
[M+Na-2H]- 405.00754 190.6
[M]+ 384.03232 189.4
[M]- 384.03342 189.4
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.