CID 750432

1658-97-5

Structural Information

Molecular Formula
C12H17NO3S
SMILES
CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H17NO3S/c1-4-13(5-2)17(15,16)12-8-6-11(7-9-12)10(3)14/h6-9H,4-5H2,1-3H3
InChIKey
OKAAHYQTIYWBEL-UHFFFAOYSA-N
Compound name
4-acetyl-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

255.09291 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10019 155.6
[M+Na]+ 278.08213 162.5
[M-H]- 254.08563 160.7
[M+NH4]+ 273.12673 173.4
[M+K]+ 294.05607 160.8
[M+H-H2O]+ 238.09017 149.0
[M+HCOO]- 300.09111 173.9
[M+CH3COO]- 314.10676 198.3
[M+Na-2H]- 276.06758 157.8
[M]+ 255.09236 160.6
[M]- 255.09346 160.6
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