CID 3021216

88222-14-4

Structural Information

Molecular Formula
C22H37NO2S
SMILES
CCCCC(CNC(=O)C)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C22H37NO2S/c1-9-10-11-16(14-23-15(2)24)26-17-12-18(21(3,4)5)20(25)19(13-17)22(6,7)8/h12-13,16,25H,9-11,14H2,1-8H3,(H,23,24)
InChIKey
AWWKVKNODHZDDB-UHFFFAOYSA-N
Compound name
N-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.2545 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.26178 200.1
[M+Na]+ 402.24372 207.7
[M+NH4]+ 397.28832 205.4
[M+K]+ 418.21766 200.9
[M-H]- 378.24722 200.0
[M+Na-2H]- 400.22917 201.4
[M]+ 379.25395 201.6
[M]- 379.25505 201.6
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.