CID 125483

131549-85-4

Structural Information

Molecular Formula
C10H9N3O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=O
InChI
InChI=1S/C10H9N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6H,1H3,(H,12,13)
InChIKey
GHNQGDUYHCZZPT-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-4-nitrosobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

5
Patents

267.03137 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.038646 155.3
[M+Na]+ 290.020588 165.2
[M-H]- 266.024094 164.1
[M+NH4]+ 285.065193 171.5
[M+K]+ 305.994528 163.8
[M+H-H2O]+ 250.028630 148.0
[M+HCOO]- 312.029571 177.9
[M+CH3COO]- 326.045221 197.5
[M+Na-2H]- 288.006036 161.8
[M]+ 267.03082142 161.2
[M]- 267.03191858 161.2
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

patents stripe