CID 59220

102107-36-8

Structural Information

Molecular Formula
C23H33N3O4S
SMILES
CCCCCCCCCCCC(=O)NS(=O)(=O)C1=C2C(=C(C=C1)NC(=O)C)C=CC=N2
InChI
InChI=1S/C23H33N3O4S/c1-3-4-5-6-7-8-9-10-11-14-22(28)26-31(29,30)21-16-15-20(25-18(2)27)19-13-12-17-24-23(19)21/h12-13,15-17H,3-11,14H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
UNTGZLCUHXWRKP-UHFFFAOYSA-N
Compound name
N-(5-acetamidoquinolin-8-yl)sulfonyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.21918 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22646 208.6
[M+Na]+ 470.20840 211.4
[M-H]- 446.21190 209.8
[M+NH4]+ 465.25300 216.9
[M+K]+ 486.18234 206.1
[M+H-H2O]+ 430.21644 199.4
[M+HCOO]- 492.21738 221.6
[M+CH3COO]- 506.23303 235.1
[M+Na-2H]- 468.19385 209.6
[M]+ 447.21863 215.0
[M]- 447.21973 215.0
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.