CID 3022016

Brn 5612160

Structural Information

Molecular Formula
C14H15F4N3O
SMILES
CCN=C1C(NC(=O)N1C2=CC(=C(C=C2)F)C(F)(F)F)(C)C
InChI
InChI=1S/C14H15F4N3O/c1-4-19-11-13(2,3)20-12(22)21(11)8-5-6-10(15)9(7-8)14(16,17)18/h5-7H,4H2,1-3H3,(H,20,22)
InChIKey
JANHXFOFNKGBDV-UHFFFAOYSA-N
Compound name
5-ethylimino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-4,4-dimethylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12238 167.5
[M+Na]+ 340.10432 178.0
[M-H]- 316.10782 167.4
[M+NH4]+ 335.14892 183.6
[M+K]+ 356.07826 172.7
[M+H-H2O]+ 300.11236 157.4
[M+HCOO]- 362.11330 182.9
[M+CH3COO]- 376.12895 208.6
[M+Na-2H]- 338.08977 168.0
[M]+ 317.11455 161.9
[M]- 317.11565 161.9
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.