CID 458894

P-(amyl-p-tolylsulfamyl)-alpha-benezoylacetanilide

Structural Information

Molecular Formula
C26H28N2O4S
SMILES
CCCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H28N2O4S/c1-2-3-10-19-28(23-13-8-5-9-14-23)33(31,32)24-17-15-22(16-18-24)27-26(30)20-25(29)21-11-6-4-7-12-21/h4-9,11-18H,2-3,10,19-20H2,1H3,(H,27,30)
InChIKey
RMIULDGZVAODCA-UHFFFAOYSA-N
Compound name
3-oxo-N-[4-[pentyl(phenyl)sulfamoyl]phenyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.17697 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.18425 212.6
[M+Na]+ 487.16619 214.6
[M-H]- 463.16969 221.8
[M+NH4]+ 482.21079 219.8
[M+K]+ 503.14013 209.8
[M+H-H2O]+ 447.17423 201.6
[M+HCOO]- 509.17517 229.3
[M+CH3COO]- 523.19082 238.1
[M+Na-2H]- 485.15164 213.5
[M]+ 464.17642 216.2
[M]- 464.17752 216.2
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.