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

28929
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

literature stripe

Patent stripe

patents stripe