CID 3065054

Brn 5616275

Structural Information

Molecular Formula
C15H10FN3O2S
SMILES
CC1=CC(=O)OC2=C1C(=NN2C3=NC4=C(S3)C=C(C=C4)F)C
InChI
InChI=1S/C15H10FN3O2S/c1-7-5-12(20)21-14-13(7)8(2)18-19(14)15-17-10-4-3-9(16)6-11(10)22-15/h3-6H,1-2H3
InChIKey
GIPAUTGGZLDDBA-UHFFFAOYSA-N
Compound name
1-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethylpyrano[2,3-c]pyrazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.0478 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05508 169.9
[M+Na]+ 338.03702 186.7
[M+NH4]+ 333.08162 177.8
[M+K]+ 354.01096 181.0
[M-H]- 314.04052 173.5
[M+Na-2H]- 336.02247 175.7
[M]+ 315.04725 174.0
[M]- 315.04835 174.0
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.