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 168.3
[M+Na]+ 338.03702 185.8
[M-H]- 314.04052 175.9
[M+NH4]+ 333.08162 185.4
[M+K]+ 354.01096 180.6
[M+H-H2O]+ 298.04506 161.4
[M+HCOO]- 360.04600 186.5
[M+CH3COO]- 374.06165 182.6
[M+Na-2H]- 336.02247 170.1
[M]+ 315.04725 178.3
[M]- 315.04835 178.3
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.