CID 57272

97658-06-5

Structural Information

Molecular Formula
C21H30N2O4S
SMILES
CCCCCCCCCC(=O)NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OCC
InChI
InChI=1S/C21H30N2O4S/c1-3-5-6-7-8-9-10-13-20(24)23-28(25,26)19-15-14-18(27-4-2)21-17(19)12-11-16-22-21/h11-12,14-16H,3-10,13H2,1-2H3,(H,23,24)
InChIKey
PCZDTHHOBRIYOT-UHFFFAOYSA-N
Compound name
N-(8-ethoxyquinolin-5-yl)sulfonyldecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.19263 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19991 198.2
[M+Na]+ 429.18185 202.9
[M-H]- 405.18535 200.0
[M+NH4]+ 424.22645 208.8
[M+K]+ 445.15579 197.9
[M+H-H2O]+ 389.18989 189.5
[M+HCOO]- 451.19083 211.8
[M+CH3COO]- 465.20648 224.6
[M+Na-2H]- 427.16730 200.2
[M]+ 406.19208 206.1
[M]- 406.19318 206.1
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

No patent data available for this compound.