CID 504553

P-toluenesulfonamide, n-methyl-n-9-oxo-2-fluorenyl-

Structural Information

Molecular Formula
C21H17NO3S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)N(OC23C4=CC=CC=C4C5=CC=CC=C35)C
InChI
InChI=1S/C21H17NO3S/c1-14-11-12-20-19(13-14)21(25-22(2)26(20,23)24)17-9-5-3-7-15(17)16-8-4-6-10-18(16)21/h3-13H,1-2H3
InChIKey
GHBPPNWFFJHHRX-UHFFFAOYSA-N
Compound name
2,6-dimethylspiro[3,1lambda6,2-benzoxathiazine-4,9'-fluorene] 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.09293 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10021 181.5
[M+Na]+ 386.08215 195.0
[M-H]- 362.08565 190.3
[M+NH4]+ 381.12675 201.6
[M+K]+ 402.05609 189.7
[M+H-H2O]+ 346.09019 173.5
[M+HCOO]- 408.09113 194.5
[M+CH3COO]- 422.10678 193.6
[M+Na-2H]- 384.06760 187.8
[M]+ 363.09238 187.3
[M]- 363.09348 187.3
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.