CID 71313144

135529-16-7

Structural Information

Molecular Formula
C16H16N4O5S2
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H16N4O5S2/c1-11-10-16(18-25-11)20-27(23,24)15-8-4-13(5-9-15)19-26(21,22)14-6-2-12(17)3-7-14/h2-10,19H,17H2,1H3,(H,18,20)
InChIKey
ULRBBWWPWOJYFE-UHFFFAOYSA-N
Compound name
4-amino-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0562 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.06348 192.0
[M+Na]+ 431.04542 199.9
[M-H]- 407.04892 200.9
[M+NH4]+ 426.09002 200.8
[M+K]+ 447.01936 194.8
[M+H-H2O]+ 391.05346 184.1
[M+HCOO]- 453.05440 206.2
[M+CH3COO]- 467.07005 221.6
[M+Na-2H]- 429.03087 197.7
[M]+ 408.05565 195.0
[M]- 408.05675 195.0
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.