CID 112696

63573-57-9

Structural Information

Molecular Formula
C24H41NO5S
SMILES
CCCCCCCCCCCCC(C(=O)O)OC1=CC=C(C=C1)NS(=O)(=O)CCCC
InChI
InChI=1S/C24H41NO5S/c1-3-5-7-8-9-10-11-12-13-14-15-23(24(26)27)30-22-18-16-21(17-19-22)25-31(28,29)20-6-4-2/h16-19,23,25H,3-15,20H2,1-2H3,(H,26,27)
InChIKey
VBTORCSBKALMIO-UHFFFAOYSA-N
Compound name
2-[4-(butylsulfonylamino)phenoxy]tetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

455.27054 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.27782 213.5
[M+Na]+ 478.25976 218.7
[M+NH4]+ 473.30436 216.3
[M+K]+ 494.23370 211.5
[M-H]- 454.26326 211.6
[M+Na-2H]- 476.24521 213.5
[M]+ 455.26999 213.7
[M]- 455.27109 213.7
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

patents stripe