CID 3070109

Undecanoic acid, 11-(((4-methoxyphenyl)sulfonyl)amino)-, ethyl ester

Structural Information

Molecular Formula
C20H33NO5S
SMILES
CCOC(=O)CCCCCCCCCCNS(=O)(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C20H33NO5S/c1-3-26-20(22)12-10-8-6-4-5-7-9-11-17-21-27(23,24)19-15-13-18(25-2)14-16-19/h13-16,21H,3-12,17H2,1-2H3
InChIKey
LOAHNMPTABYMCW-UHFFFAOYSA-N
Compound name
ethyl 11-[(4-methoxyphenyl)sulfonylamino]undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.20795 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.21523 197.5
[M+Na]+ 422.19717 200.3
[M-H]- 398.20067 199.3
[M+NH4]+ 417.24177 208.5
[M+K]+ 438.17111 196.5
[M+H-H2O]+ 382.20521 189.0
[M+HCOO]- 444.20615 213.1
[M+CH3COO]- 458.22180 222.2
[M+Na-2H]- 420.18262 197.1
[M]+ 399.20740 206.8
[M]- 399.20850 206.8
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.