CID 3086291

136582-09-7

Structural Information

Molecular Formula
C42H64N2O7S2
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)NS(=O)(=O)C3=CC=C(C=C3)OCCCCCCCCCCCC
InChI
InChI=1S/C42H64N2O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-50-37-24-28-39(29-25-37)52(46,47)43-36-23-32-42(45)41(35-36)44-53(48,49)40-30-26-38(27-31-40)51-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35,43-45H,3-22,33-34H2,1-2H3
InChIKey
CSQXGPMRNVVHDI-UHFFFAOYSA-N
Compound name
4-dodecoxy-N-[3-[(4-dodecoxyphenyl)sulfonylamino]-4-hydroxyphenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

772.41547 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.42275 286.6
[M+Na]+ 795.40469 292.0
[M+NH4]+ 790.44929 286.9
[M+K]+ 811.37863 280.3
[M-H]- 771.40819 288.8
[M+Na-2H]- 793.39014 290.1
[M]+ 772.41492 288.6
[M]- 772.41602 288.6
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