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
2
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 192.5
[M+Na]+ 458.07345 204.9
[M-H]- 434.07695 193.0
[M+NH4]+ 453.11805 201.2
[M+K]+ 474.04739 197.7
[M+H-H2O]+ 418.08149 175.2
[M+HCOO]- 480.08243 201.5
[M+CH3COO]- 494.09808 234.6
[M+Na-2H]- 456.05890 188.6
[M]+ 435.08368 184.3
[M]- 435.08478 184.3
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