CID 24751889

459818-48-5

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C[C@]1(C(=O)NC(=O)N1)CSCC2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2S/c1-12(10(15)13-11(16)14-12)8-17-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,13,14,15,16)/t12-/m1/s1
InChIKey
QDXMWEMIYNOVGF-GFCCVEGCSA-N
Compound name
(5S)-5-(benzylsulfanylmethyl)-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

250.0776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 157.0
[M+Na]+ 273.06682 167.3
[M+NH4]+ 268.11142 165.2
[M+K]+ 289.04076 159.4
[M-H]- 249.07032 157.8
[M+Na-2H]- 271.05227 162.6
[M]+ 250.07705 159.0
[M]- 250.07815 159.0
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

patents stripe