CID 3086745

11-(2-benzoyl-4-chlorobenzenesulphonamido)undecanoic acid

Structural Information

Molecular Formula
C24H30ClNO5S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)NCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H30ClNO5S/c25-20-15-16-22(21(18-20)24(29)19-12-8-7-9-13-19)32(30,31)26-17-11-6-4-2-1-3-5-10-14-23(27)28/h7-9,12-13,15-16,18,26H,1-6,10-11,14,17H2,(H,27,28)
InChIKey
QPBVNXQLWDMODP-UHFFFAOYSA-N
Compound name
11-[(2-benzoyl-4-chlorophenyl)sulfonylamino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

479.15332 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16060 213.9
[M+Na]+ 502.14254 223.3
[M+NH4]+ 497.18714 217.9
[M+K]+ 518.11648 214.8
[M-H]- 478.14604 215.0
[M+Na-2H]- 500.12799 218.0
[M]+ 479.15277 216.0
[M]- 479.15387 216.0
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

patents stripe