CID 3002856

Chembl1958117

Structural Information

Molecular Formula
C10H10N2OS
SMILES
C1=CC=C(C=C1)C[C@@H]2C(=O)NC(=S)N2
InChI
InChI=1S/C10H10N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)/t8-/m1/s1
InChIKey
OOPBUMFUWJUHIJ-MRVPVSSYSA-N
Compound name
(5R)-5-benzyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.05139 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 144.4
[M+Na]+ 229.04061 152.9
[M-H]- 205.04411 146.1
[M+NH4]+ 224.08521 161.8
[M+K]+ 245.01455 147.1
[M+H-H2O]+ 189.04865 137.9
[M+HCOO]- 251.04959 158.1
[M+CH3COO]- 265.06524 155.9
[M+Na-2H]- 227.02606 144.4
[M]+ 206.05084 140.6
[M]- 206.05194 140.6
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.