CID 978627

301681-47-0

Structural Information

Molecular Formula
C18H16BrN3O4S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H16BrN3O4S/c1-11-12(2)21-26-18(11)22-27(24,25)16-9-7-15(8-10-16)20-17(23)13-3-5-14(19)6-4-13/h3-10,22H,1-2H3,(H,20,23)
InChIKey
AIGYUEMACHJVEF-UHFFFAOYSA-N
Compound name
4-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

449.0045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.01178 188.2
[M+Na]+ 471.99372 199.2
[M-H]- 447.99722 200.5
[M+NH4]+ 467.03832 200.3
[M+K]+ 487.96766 187.6
[M+H-H2O]+ 432.00176 185.9
[M+HCOO]- 494.00270 204.8
[M+CH3COO]- 508.01835 225.2
[M+Na-2H]- 469.97917 192.3
[M]+ 449.00395 210.9
[M]- 449.00505 210.9
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

No patent data available for this compound.