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 209.2
[M+Na]+ 469.21316 211.5
[M-H]- 445.21666 211.5
[M+NH4]+ 464.25776 218.8
[M+K]+ 485.18710 206.2
[M+H-H2O]+ 429.22120 200.5
[M+HCOO]- 491.22214 223.1
[M+CH3COO]- 505.23779 235.5
[M+Na-2H]- 467.19861 209.4
[M]+ 446.22339 215.5
[M]- 446.22449 215.5
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

patents stripe