CID 57494976

2-[2,4-bis(1,1-dimethylethyl)phenoxy]-n-(2-hydroxy-5-methylphenyl)hexanamide

Structural Information

Molecular Formula
C27H39NO3
SMILES
CCCCC(C(=O)NC1=C(C=CC(=C1)C)O)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C27H39NO3/c1-9-10-11-24(25(30)28-21-16-18(2)12-14-22(21)29)31-23-15-13-19(26(3,4)5)17-20(23)27(6,7)8/h12-17,24,29H,9-11H2,1-8H3,(H,28,30)
InChIKey
GZKTZPGVQVIVSI-UHFFFAOYSA-N
Compound name
2-(2,4-ditert-butylphenoxy)-N-(2-hydroxy-5-methylphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

425.293 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.30028 209.1
[M+Na]+ 448.28222 212.7
[M-H]- 424.28572 213.9
[M+NH4]+ 443.32682 218.8
[M+K]+ 464.25616 209.1
[M+H-H2O]+ 408.29026 201.2
[M+HCOO]- 470.29120 224.1
[M+CH3COO]- 484.30685 234.0
[M+Na-2H]- 446.26767 207.3
[M]+ 425.29245 212.9
[M]- 425.29355 212.9
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