CID 46898525

Enzalutamide metabolite m5

Structural Information

Molecular Formula
C20H13F4N3O4
SMILES
CC1(C(=O)N(C(=O)N1C2=CC(=C(C=C2)C(=O)O)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
InChI
InChI=1S/C20H13F4N3O4/c1-19(2)17(30)26(11-4-3-10(9-25)14(7-11)20(22,23)24)18(31)27(19)12-5-6-13(16(28)29)15(21)8-12/h3-8H,1-2H3,(H,28,29)
InChIKey
HLAJSPJIWQUPBY-UHFFFAOYSA-N
Compound name
4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-2,4-dioxoimidazolidin-1-yl]-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

435.08423 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.09151 196.1
[M+Na]+ 458.07345 204.3
[M+NH4]+ 453.11805 195.5
[M+K]+ 474.04739 196.9
[M-H]- 434.07695 185.1
[M+Na-2H]- 456.05890 195.9
[M]+ 435.08368 193.2
[M]- 435.08478 193.2
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