CID 57390068

Ml345

Structural Information

Molecular Formula
C21H22FN3O5S2
SMILES
C1COCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N4C(=O)C5=C(S4)C=CC(=C5)F
InChI
InChI=1S/C21H22FN3O5S2/c22-15-1-4-20-17(13-15)21(26)25(31-20)19-14-16(32(27,28)24-7-11-30-12-8-24)2-3-18(19)23-5-9-29-10-6-23/h1-4,13-14H,5-12H2
InChIKey
FVKOFZKSMMIUTL-UHFFFAOYSA-N
Compound name
5-fluoro-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

479.09848 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.10576 204.3
[M+Na]+ 502.08770 216.8
[M+NH4]+ 497.13230 209.7
[M+K]+ 518.06164 209.7
[M-H]- 478.09120 210.3
[M+Na-2H]- 500.07315 209.5
[M]+ 479.09793 208.6
[M]- 479.09903 208.6
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

patents stripe