CID 199191

Pans 610

Structural Information

Molecular Formula
C24H34N2O4S
SMILES
CCCCCCCCCCCC(=O)NS(=O)(=O)C1=CC=C(C2=CC=CC=C21)NC(=O)C
InChI
InChI=1S/C24H34N2O4S/c1-3-4-5-6-7-8-9-10-11-16-24(28)26-31(29,30)23-18-17-22(25-19(2)27)20-14-12-13-15-21(20)23/h12-15,17-18H,3-11,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKey
IEDJWOSWRQPPCI-UHFFFAOYSA-N
Compound name
N-(4-acetamidonaphthalen-1-yl)sulfonyldodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.22394 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.23122 208.8
[M+Na]+ 469.21316 216.1
[M+NH4]+ 464.25776 213.0
[M+K]+ 485.18710 208.0
[M-H]- 445.21666 209.2
[M+Na-2H]- 467.19861 211.0
[M]+ 446.22339 210.1
[M]- 446.22449 210.1
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.