CID 3086746

Undecanoic acid, 11-(((4-chloro-2-(2-chlorobenzoyl)phenyl)sulfonyl)amino)-

Structural Information

Molecular Formula
C24H29Cl2NO5S
SMILES
C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)Cl)S(=O)(=O)NCCCCCCCCCCC(=O)O)Cl
InChI
InChI=1S/C24H29Cl2NO5S/c25-18-14-15-22(20(17-18)24(30)19-11-8-9-12-21(19)26)33(31,32)27-16-10-6-4-2-1-3-5-7-13-23(28)29/h8-9,11-12,14-15,17,27H,1-7,10,13,16H2,(H,28,29)
InChIKey
LMTPDSJHCIQRPT-UHFFFAOYSA-N
Compound name
11-[[4-chloro-2-(2-chlorobenzoyl)phenyl]sulfonylamino]undecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

513.1144 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.12168 215.8
[M+Na]+ 536.10362 220.2
[M-H]- 512.10712 219.8
[M+NH4]+ 531.14822 222.9
[M+K]+ 552.07756 212.3
[M+H-H2O]+ 496.11166 209.1
[M+HCOO]- 558.11260 220.1
[M+CH3COO]- 572.12825 237.8
[M+Na-2H]- 534.08907 213.1
[M]+ 513.11385 225.2
[M]- 513.11495 225.2
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