CID 56848

N-(5-acetamido-8-quinolylsulfonyl)decanamide

Structural Information

Molecular Formula
C21H29N3O4S
SMILES
CCCCCCCCCC(=O)NS(=O)(=O)C1=C2C(=C(C=C1)NC(=O)C)C=CC=N2
InChI
InChI=1S/C21H29N3O4S/c1-3-4-5-6-7-8-9-12-20(26)24-29(27,28)19-14-13-18(23-16(2)25)17-11-10-15-22-21(17)19/h10-11,13-15H,3-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKey
SZNQLPFJVAOBRC-UHFFFAOYSA-N
Compound name
N-(5-acetamidoquinolin-8-yl)sulfonyldecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.18787 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19515 200.2
[M+Na]+ 442.17709 203.9
[M-H]- 418.18059 201.8
[M+NH4]+ 437.22169 209.7
[M+K]+ 458.15103 198.9
[M+H-H2O]+ 402.18513 191.4
[M+HCOO]- 464.18607 213.9
[M+CH3COO]- 478.20172 229.3
[M+Na-2H]- 440.16254 202.0
[M]+ 419.18732 205.9
[M]- 419.18842 205.9
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.