CID 2467370

554426-45-8

Structural Information

Molecular Formula
C14H19NO4S
SMILES
CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C14H19NO4S/c1-15(12-7-3-2-4-8-12)20(18,19)13-9-5-6-11(10-13)14(16)17/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,16,17)
InChIKey
BQLSFKJFZAEIQJ-UHFFFAOYSA-N
Compound name
3-[cyclohexyl(methyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1035 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11078 164.4
[M+Na]+ 320.09272 173.0
[M+NH4]+ 315.13732 171.0
[M+K]+ 336.06666 167.4
[M-H]- 296.09622 166.4
[M+Na-2H]- 318.07817 169.6
[M]+ 297.10295 166.3
[M]- 297.10405 166.3
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.