CID 63839330

5-acetyl-2,4-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CC1=CC(=C(C=C1C(=O)C)S(=O)(=O)N)C
InChI
InChI=1S/C10H13NO3S/c1-6-4-7(2)10(15(11,13)14)5-9(6)8(3)12/h4-5H,1-3H3,(H2,11,13,14)
InChIKey
BQVZVFNMAZELDM-UHFFFAOYSA-N
Compound name
5-acetyl-2,4-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.06161 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 146.1
[M+Na]+ 250.05083 155.5
[M-H]- 226.05433 150.3
[M+NH4]+ 245.09543 164.7
[M+K]+ 266.02477 152.5
[M+H-H2O]+ 210.05887 140.7
[M+HCOO]- 272.05981 163.8
[M+CH3COO]- 286.07546 190.7
[M+Na-2H]- 248.03628 147.7
[M]+ 227.06106 148.9
[M]- 227.06216 148.9
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.