CID 139596762

Dtxsid301024800

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C[C@@]1(C(=O)NC(=N1)SC)C2=CC=CC=C2
InChI
InChI=1S/C11H12N2OS/c1-11(8-6-4-3-5-7-8)9(14)12-10(13-11)15-2/h3-7H,1-2H3,(H,12,13,14)/t11-/m0/s1
InChIKey
QHSLNWMUUSLDBW-NSHDSACASA-N
Compound name
(4S)-4-methyl-2-methylsulfanyl-4-phenyl-1H-imidazol-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.4
[M+Na]+ 243.05625 156.7
[M-H]- 219.05975 150.1
[M+NH4]+ 238.10085 166.4
[M+K]+ 259.03019 152.2
[M+H-H2O]+ 203.06429 140.2
[M+HCOO]- 265.06523 162.7
[M+CH3COO]- 279.08088 159.3
[M+Na-2H]- 241.04170 148.8
[M]+ 220.06648 147.3
[M]- 220.06758 147.3
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

No patent data available for this compound.