CID 13651325

2-[2,4-bis(1,1-dimethylethyl)phenoxy]-n-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexanamide

Structural Information

Molecular Formula
C28H39Cl2NO3
SMILES
CCCCC(C(=O)NC1=CC(=C(C(=C1O)Cl)CC)Cl)OC2=C(C=C(C=C2)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C28H39Cl2NO3/c1-9-11-12-23(26(33)31-21-16-20(29)18(10-2)24(30)25(21)32)34-22-14-13-17(27(3,4)5)15-19(22)28(6,7)8/h13-16,23,32H,9-12H2,1-8H3,(H,31,33)
InChIKey
SKVLTVVEHFKQNY-UHFFFAOYSA-N
Compound name
2-(2,4-ditert-butylphenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

507.2307 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.23798 229.7
[M+Na]+ 530.21992 241.6
[M+NH4]+ 525.26452 234.7
[M+K]+ 546.19386 234.2
[M-H]- 506.22342 231.7
[M+Na-2H]- 528.20537 233.0
[M]+ 507.23015 232.7
[M]- 507.23125 232.7
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