CID 2437240

4-(2,3,5,6-tetramethylbenzenesulfonamido)butanoic acid

Structural Information

Molecular Formula
C14H21NO4S
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)NCCCC(=O)O)C)C
InChI
InChI=1S/C14H21NO4S/c1-9-8-10(2)12(4)14(11(9)3)20(18,19)15-7-5-6-13(16)17/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKey
VUMSWKCPJSILTE-UHFFFAOYSA-N
Compound name
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11914 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12642 170.3
[M+Na]+ 322.10836 179.6
[M+NH4]+ 317.15296 175.5
[M+K]+ 338.08230 173.7
[M-H]- 298.11186 169.8
[M+Na-2H]- 320.09381 172.5
[M]+ 299.11859 171.7
[M]- 299.11969 171.7
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.