CID 117680

N-2,3-xylenesulphonamide

Structural Information

Molecular Formula
C10H14N2O5S
SMILES
CC1=CC(=CC(=C1C)S(=O)(=O)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C10H14N2O5S/c1-7-5-9(12(14)15)6-10(8(7)2)18(16,17)11-3-4-13/h5-6,11,13H,3-4H2,1-2H3
InChIKey
MIBWEBONCRNTAY-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.06235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.06963 155.0
[M+Na]+ 297.05157 161.8
[M-H]- 273.05507 157.7
[M+NH4]+ 292.09617 169.9
[M+K]+ 313.02551 154.3
[M+H-H2O]+ 257.05961 153.3
[M+HCOO]- 319.06055 173.6
[M+CH3COO]- 333.07620 189.6
[M+Na-2H]- 295.03702 160.6
[M]+ 274.06180 156.2
[M]- 274.06290 156.2
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.