CID 10983214

168151-92-6

Structural Information

Molecular Formula
C21H33NO6S
SMILES
CCCCCCCCC(=O)NCCCCCC(=O)OC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C21H33NO6S/c1-2-3-4-5-6-8-11-20(23)22-17-10-7-9-12-21(24)28-18-13-15-19(16-14-18)29(25,26)27/h13-16H,2-12,17H2,1H3,(H,22,23)(H,25,26,27)
InChIKey
AKDRUQMXFTYGSY-UHFFFAOYSA-N
Compound name
4-[6-(nonanoylamino)hexanoyloxy]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

486
Patents

427.20285 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.21013 203.2
[M+Na]+ 450.19207 208.6
[M+NH4]+ 445.23667 205.6
[M+K]+ 466.16601 202.5
[M-H]- 426.19557 200.7
[M+Na-2H]- 448.17752 203.4
[M]+ 427.20230 203.1
[M]- 427.20340 203.1
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