CID 24803511

Gsk894281

Structural Information

Molecular Formula
C24H28FN3O4S
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC(=C(C=C3)C4=CC=C(O4)C)F
InChI
InChI=1S/C24H28FN3O4S/c1-15-13-28(14-16(2)26-15)18-6-10-24(31-4)22(11-18)27-33(29,30)19-7-8-20(21(25)12-19)23-9-5-17(3)32-23/h5-12,15-16,26-27H,13-14H2,1-4H3/t15-,16+
InChIKey
OIWVNMRPHUCLHN-IYBDPMFKSA-N
Compound name
N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl]-3-fluoro-4-(5-methylfuran-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

473.17847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.18575 215.3
[M+Na]+ 496.16769 226.8
[M+NH4]+ 491.21229 219.7
[M+K]+ 512.14163 221.0
[M-H]- 472.17119 220.4
[M+Na-2H]- 494.15314 220.6
[M]+ 473.17792 218.7
[M]- 473.17902 218.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe