CID 10403199

Fenamidone

Structural Information

Molecular Formula
C17H17N3OS
SMILES
C[C@@]1(C(=O)N(C(=N1)SC)NC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
InChIKey
LMVPQMGRYSRMIW-KRWDZBQOSA-N
Compound name
(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

30507
Patents

311.10922 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11650 170.8
[M+Na]+ 334.09844 180.3
[M-H]- 310.10194 178.8
[M+NH4]+ 329.14304 187.1
[M+K]+ 350.07238 174.5
[M+H-H2O]+ 294.10648 162.2
[M+HCOO]- 356.10742 189.1
[M+CH3COO]- 370.12307 182.5
[M+Na-2H]- 332.08389 173.1
[M]+ 311.10867 172.8
[M]- 311.10977 172.8
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.