CID 138394641

Hexanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-n-(3-hydroxy-4-((octafluoro-1-oxopentyl)amino)phenyl)-

Structural Information

Molecular Formula
C33H42F8N2O4
SMILES
CCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C(C(C(C(F)(F)F)F)(F)F)(F)F)O)OC2=C(C=C(C=C2)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C33H42F8N2O4/c1-8-11-12-25(47-24-16-13-19(29(4,5)9-2)17-21(24)30(6,7)10-3)26(45)42-20-14-15-22(23(44)18-20)43-28(46)32(37,38)31(35,36)27(34)33(39,40)41/h13-18,25,27,44H,8-12H2,1-7H3,(H,42,45)(H,43,46)
InChIKey
PTQKCGQHJQSDEQ-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-hydroxy-4-(2,2,3,3,4,5,5,5-octafluoropentanoylamino)phenyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

682.3017 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.30898 217.1
[M+Na]+ 705.29092 227.8
[M-H]- 681.29442 226.0
[M+NH4]+ 700.33552 227.5
[M+K]+ 721.26486 230.4
[M+H-H2O]+ 665.29896 240.6
[M+HCOO]- 727.29990 228.9
[M+CH3COO]- 741.31555 279.5
[M+Na-2H]- 703.27637 249.8
[M]+ 682.30115 212.8
[M]- 682.30225 212.8
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.