CID 3017391

63224-80-6

Structural Information

Molecular Formula
C30H52N2O5S
SMILES
CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)NC)NC(=O)CC(=O)C(C)(C)C
InChI
InChI=1S/C30H52N2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-37-27-21-20-25(38(35,36)31-5)23-26(27)32-29(34)24-28(33)30(2,3)4/h20-21,23,31H,6-19,22,24H2,1-5H3,(H,32,34)
InChIKey
CCXDKYUOXACLTK-UHFFFAOYSA-N
Compound name
N-[2-hexadecoxy-5-(methylsulfamoyl)phenyl]-4,4-dimethyl-3-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

552.3597 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.366976 241.0
[M+Na]+ 575.348918 239.3
[M-H]- 551.352424 241.1
[M+NH4]+ 570.393523 237.1
[M+K]+ 591.322858 234.4
[M+H-H2O]+ 535.356960 231.3
[M+HCOO]- 597.357901 244.9
[M+CH3COO]- 611.373551 257.5
[M+Na-2H]- 573.334366 236.6
[M]+ 552.35915142 251.3
[M]- 552.36024858 251.3
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.