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 206.2
[M+Na]+ 502.08770 214.7
[M-H]- 478.09120 215.2
[M+NH4]+ 497.13230 210.5
[M+K]+ 518.06164 210.4
[M+H-H2O]+ 462.09574 197.3
[M+HCOO]- 524.09668 208.9
[M+CH3COO]- 538.11233 213.5
[M+Na-2H]- 500.07315 205.6
[M]+ 479.09793 206.6
[M]- 479.09903 206.6
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