CID 2064041

4-acetyl-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H13NO3S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H13NO3S/c1-8(12)9-4-6-10(7-5-9)15(13,14)11(2)3/h4-7H,1-3H3
InChIKey
JJTSRGOGIDQHGO-UHFFFAOYSA-N
Compound name
4-acetyl-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

227.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.068886 146.4
[M+Na]+ 250.050828 154.2
[M-H]- 226.054334 151.9
[M+NH4]+ 245.095433 165.4
[M+K]+ 266.024768 153.0
[M+H-H2O]+ 210.058870 140.3
[M+HCOO]- 272.059811 165.4
[M+CH3COO]- 286.075461 192.3
[M+Na-2H]- 248.036276 149.7
[M]+ 227.06106142 150.8
[M]- 227.06215858 150.8
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

patents stripe