CID 44669178

885269-54-5

Structural Information

Molecular Formula
C17H25NO4S
SMILES
CC1=CC(=C(C(=C1C)S(=O)(=O)NC2(CCCCC2)C(=O)O)C)C
InChI
InChI=1S/C17H25NO4S/c1-11-10-12(2)14(4)15(13(11)3)23(21,22)18-17(16(19)20)8-6-5-7-9-17/h10,18H,5-9H2,1-4H3,(H,19,20)
InChIKey
AUJXKRTUDQFEGI-UHFFFAOYSA-N
Compound name
1-[(2,3,5,6-tetramethylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.15042 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15770 177.4
[M+Na]+ 362.13964 186.4
[M+NH4]+ 357.18424 184.7
[M+K]+ 378.11358 178.6
[M-H]- 338.14314 179.1
[M+Na-2H]- 360.12509 182.9
[M]+ 339.14987 179.6
[M]- 339.15097 179.6
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.