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 165.0
[M+Na]+ 320.09272 168.7
[M-H]- 296.09622 170.7
[M+NH4]+ 315.13732 179.5
[M+K]+ 336.06666 166.5
[M+H-H2O]+ 280.10076 157.9
[M+HCOO]- 342.10170 178.7
[M+CH3COO]- 356.11735 200.9
[M+Na-2H]- 318.07817 166.3
[M]+ 297.10295 163.7
[M]- 297.10405 163.7
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.