CID 747064

13053-79-7

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H10N2O3S/c1-8-7-10(11-15-8)12-16(13,14)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,12)
InChIKey
SQNUDFDMVUDDJY-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

57
Patents

238.04121 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 149.1
[M+Na]+ 261.030428 158.8
[M-H]- 237.033934 156.2
[M+NH4]+ 256.075033 166.2
[M+K]+ 277.004368 156.7
[M+H-H2O]+ 221.038470 142.5
[M+HCOO]- 283.039411 169.0
[M+CH3COO]- 297.055061 187.3
[M+Na-2H]- 259.015876 155.0
[M]+ 238.04066142 152.9
[M]- 238.04175858 152.9
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

patents stripe