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

36
Patents

227.06161 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.06889 146.4
[M+Na]+ 250.05083 154.2
[M-H]- 226.05433 151.9
[M+NH4]+ 245.09543 165.4
[M+K]+ 266.02477 153.0
[M+H-H2O]+ 210.05887 140.3
[M+HCOO]- 272.05981 165.4
[M+CH3COO]- 286.07546 192.3
[M+Na-2H]- 248.03628 149.7
[M]+ 227.06106 150.8
[M]- 227.06216 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