CID 138395097

Hexanamide, 6-(2,4-bis(1,1-dimethylpropyl)phenoxy)-n-(3-hydroxy-4-((octafluoro-1-oxopentyl)amino)phenyl)-

Structural Information

Molecular Formula
C33H42F8N2O4
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCCCC(=O)NC2=CC(=C(C=C2)NC(=O)C(C(C(C(F)(F)F)F)(F)F)(F)F)O)C(C)(C)CC
InChI
InChI=1S/C33H42F8N2O4/c1-7-29(3,4)20-13-16-25(22(18-20)30(5,6)8-2)47-17-11-9-10-12-26(45)42-21-14-15-23(24(44)19-21)43-28(46)32(37,38)31(35,36)27(34)33(39,40)41/h13-16,18-19,27,44H,7-12,17H2,1-6H3,(H,42,45)(H,43,46)
InChIKey
LKKFNVRPVRAJCV-UHFFFAOYSA-N
Compound name
6-[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

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 683.30898 257.3
[M+Na]+ 705.29092 226.7
[M-H]- 681.29442 223.9
[M+NH4]+ 700.33552 225.4
[M+K]+ 721.26486 254.4
[M+H-H2O]+ 665.29896 242.7
[M+HCOO]- 727.29990 230.6
[M+CH3COO]- 741.31555 278.9
[M+Na-2H]- 703.27637 253.1
[M]+ 682.30115 212.0
[M]- 682.30225 212.0
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.