CID 138396385

4-{2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-hydroxy-n-(nonafluorobutyl)benzamide

Structural Information

Molecular Formula
C31H37F9N2O4
SMILES
CCC(C(=O)NC1=CC(=C(C=C1)C(=O)NC(C(C(C(F)(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/C31H37F9N2O4/c1-8-22(46-23-14-11-17(26(4,5)9-2)15-20(23)27(6,7)10-3)25(45)41-18-12-13-19(21(43)16-18)24(44)42-31(39,40)29(34,35)28(32,33)30(36,37)38/h11-16,22,43H,8-10H2,1-7H3,(H,41,45)(H,42,44)
InChIKey
JECHGDJHMJCUKE-UHFFFAOYSA-N
Compound name
4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-hydroxy-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

672.261 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 673.26828 221.6
[M+Na]+ 695.25022 220.6
[M+NH4]+ 690.29482 218.8
[M+K]+ 711.22416 218.9
[M-H]- 671.25372 214.0
[M+Na-2H]- 693.23567 218.0
[M]+ 672.26045 218.9
[M]- 672.26155 218.9
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

No patent data available for this compound.