CID 3024718

Palmitamide, n-(8-ethoxy-5-quinolylsulfonyl)-

Structural Information

Molecular Formula
C27H42N2O4S
SMILES
CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)OCC
InChI
InChI=1S/C27H42N2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-26(30)29-34(31,32)25-21-20-24(33-4-2)27-23(25)18-17-22-28-27/h17-18,20-22H,3-16,19H2,1-2H3,(H,29,30)
InChIKey
HJQKEICUKMPAHA-UHFFFAOYSA-N
Compound name
N-(8-ethoxyquinolin-5-yl)sulfonylhexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.28653 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.29381 223.6
[M+Na]+ 513.27575 225.5
[M-H]- 489.27925 224.0
[M+NH4]+ 508.32035 230.6
[M+K]+ 529.24969 219.3
[M+H-H2O]+ 473.28379 213.7
[M+HCOO]- 535.28473 235.1
[M+CH3COO]- 549.30038 242.1
[M+Na-2H]- 511.26120 222.8
[M]+ 490.28598 233.5
[M]- 490.28708 233.5
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.