CID 102904

2923-93-5

Structural Information

Molecular Formula
C32H41F7N2O4
SMILES
CCCCC(C(=O)NC1=CC(=C(C=C1)NC(=O)C(C(C(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/C32H41F7N2O4/c1-8-11-12-25(45-24-16-13-19(28(4,5)9-2)17-21(24)29(6,7)10-3)26(43)40-20-14-15-22(23(42)18-20)41-27(44)30(33,34)31(35,36)32(37,38)39/h13-18,25,42H,8-12H2,1-7H3,(H,40,43)(H,41,44)
InChIKey
FVSDJPACEHXABM-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-hydroxyphenyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

162
Patents

650.2955 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 651.30278 233.7
[M+Na]+ 673.28472 233.2
[M+NH4]+ 668.32932 230.9
[M+K]+ 689.25866 231.1
[M-H]- 649.28822 225.7
[M+Na-2H]- 671.27017 230.2
[M]+ 650.29495 230.8
[M]- 650.29605 230.8
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

patents stripe