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 174.8
[M+Na]+ 401.93798 177.4
[M-H]- 377.94148 174.4
[M+NH4]+ 396.98258 185.4
[M+K]+ 417.91192 180.2
[M+H-H2O]+ 361.94602 164.1
[M+HCOO]- 423.94696 189.3
[M+CH3COO]- 437.96261 204.8
[M+Na-2H]- 399.92343 166.0
[M]+ 378.94821 174.6
[M]- 378.94931 174.6
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.