CID 18676574

183732-71-0

Structural Information

Molecular Formula
C25H43NO5S
SMILES
CCCCCCCCCCCCC(C(=O)OC)OC1=CC=C(C=C1)NS(=O)(=O)CCCC
InChI
InChI=1S/C25H43NO5S/c1-4-6-8-9-10-11-12-13-14-15-16-24(25(27)30-3)31-23-19-17-22(18-20-23)26-32(28,29)21-7-5-2/h17-20,24,26H,4-16,21H2,1-3H3
InChIKey
FPFIGVYHWMQIBG-UHFFFAOYSA-N
Compound name
methyl 2-[4-(butylsulfonylamino)phenoxy]tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

469.2862 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.29348 217.8
[M+Na]+ 492.27542 223.4
[M+NH4]+ 487.32002 220.8
[M+K]+ 508.24936 215.6
[M-H]- 468.27892 216.4
[M+Na-2H]- 490.26087 218.2
[M]+ 469.28565 218.3
[M]- 469.28675 218.3
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

patents stripe