CID 5101057

Dtxsid501114297

Structural Information

Molecular Formula
C20H22BrN3O5S2
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=C(OC(=N2)CBr)C3=CC=C(C=C3)S(=O)(=O)N(C)C
InChI
InChI=1S/C20H22BrN3O5S2/c1-23(2)30(25,26)16-9-5-14(6-10-16)19-20(29-18(13-21)22-19)15-7-11-17(12-8-15)31(27,28)24(3)4/h5-12H,13H2,1-4H3
InChIKey
OPUSKFABNFEYPB-UHFFFAOYSA-N
Compound name
4-[2-(bromomethyl)-5-[4-(dimethylsulfamoyl)phenyl]-1,3-oxazol-4-yl]-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.01843 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.02571 188.7
[M+Na]+ 550.00765 190.2
[M+NH4]+ 545.05225 190.6
[M+K]+ 565.98159 191.7
[M-H]- 526.01115 191.8
[M+Na-2H]- 547.99310 193.3
[M]+ 527.01788 189.4
[M]- 527.01898 189.4
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.