CID 22774797

1-butanesulfonamide, n-(4-acetylphenyl)-

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]+ 256.10019 156.2
[M+Na]+ 278.08213 163.0
[M-H]- 254.08563 159.8
[M+NH4]+ 273.12673 173.4
[M+K]+ 294.05607 159.8
[M+H-H2O]+ 238.09017 149.8
[M+HCOO]- 300.09111 174.0
[M+CH3COO]- 314.10676 194.9
[M+Na-2H]- 276.06758 159.1
[M]+ 255.09236 160.0
[M]- 255.09346 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.