CID 120533

1024-37-9

Structural Information

Molecular Formula
C10H10IN3O3S
SMILES
CC1=C(C(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N)I
InChI
InChI=1S/C10H10IN3O3S/c1-6-9(11)10(13-17-6)14-18(15,16)8-4-2-7(12)3-5-8/h2-5H,12H2,1H3,(H,13,14)
InChIKey
FCLGWHGVNGNUQT-UHFFFAOYSA-N
Compound name
4-amino-N-(4-iodo-5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.94876 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.95604 176.5
[M+Na]+ 401.93798 179.1
[M+NH4]+ 396.98258 178.3
[M+K]+ 417.91192 177.8
[M-H]- 377.94148 173.5
[M+Na-2H]- 399.92343 168.3
[M]+ 378.94821 175.2
[M]- 378.94931 175.2
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.