CID 660311

5-[3-(4-fluorophenyl)-1-phenyl-1h-pyrazol-4-yl]-2,4-imidazolidinedione

Structural Information

Molecular Formula
C18H13FN4O2
SMILES
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4C(=O)NC(=O)N4
InChI
InChI=1S/C18H13FN4O2/c19-12-8-6-11(7-9-12)15-14(16-17(24)21-18(25)20-16)10-23(22-15)13-4-2-1-3-5-13/h1-10,16H,(H2,20,21,24,25)
InChIKey
MPQWYPLPWGUMJE-UHFFFAOYSA-N
Compound name
5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

23
Patents

336.10226 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10954 176.6
[M+Na]+ 359.09148 185.7
[M-H]- 335.09498 181.7
[M+NH4]+ 354.13608 186.5
[M+K]+ 375.06542 177.7
[M+H-H2O]+ 319.09952 165.3
[M+HCOO]- 381.10046 192.3
[M+CH3COO]- 395.11611 185.9
[M+Na-2H]- 357.07693 174.1
[M]+ 336.10171 171.7
[M]- 336.10281 171.7
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