CID 4493

Nilutamide

Structural Information

Molecular Formula
C12H10F3N3O4
SMILES
CC1(C(=O)N(C(=O)N1)C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C
InChI
InChI=1S/C12H10F3N3O4/c1-11(2)9(19)17(10(20)16-11)6-3-4-8(18(21)22)7(5-6)12(13,14)15/h3-5H,1-2H3,(H,16,20)
InChIKey
XWXYUMMDTVBTOU-UHFFFAOYSA-N
Compound name
5,5-dimethyl-3-[4-nitro-3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

360
References

95238
Patents

317.06235 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.06963 161.4
[M+Na]+ 340.05157 171.1
[M-H]- 316.05507 161.7
[M+NH4]+ 335.09617 175.9
[M+K]+ 356.02551 162.9
[M+H-H2O]+ 300.05961 157.7
[M+HCOO]- 362.06055 177.4
[M+CH3COO]- 376.07620 196.0
[M+Na-2H]- 338.03702 166.0
[M]+ 317.06180 155.3
[M]- 317.06290 155.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe