CID 22774797

N-(4-acetylphenyl)butane-1-sulfonamide

Structural Information

Molecular Formula
C12H17NO3S
SMILES
CCCCS(=O)(=O)NC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C12H17NO3S/c1-3-4-9-17(15,16)13-12-7-5-11(6-8-12)10(2)14/h5-8,13H,3-4,9H2,1-2H3
InChIKey
FBFLAOXAZVYFNT-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

255.09291 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.100186 156.2
[M+Na]+ 278.082128 163.0
[M-H]- 254.085634 159.8
[M+NH4]+ 273.126733 173.4
[M+K]+ 294.056068 159.8
[M+H-H2O]+ 238.090170 149.8
[M+HCOO]- 300.091111 174.0
[M+CH3COO]- 314.106761 194.9
[M+Na-2H]- 276.067576 159.1
[M]+ 255.09236142 160.0
[M]- 255.09345858 160.0
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.