CID 738296

(5r)-3-methyl-5-benzyl-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CN1C(=O)[C@H](NC1=S)CC2=CC=CC=C2
InChI
InChI=1S/C11H12N2OS/c1-13-10(14)9(12-11(13)15)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,15)/t9-/m1/s1
InChIKey
YJCYEQCFHGHYRN-SECBINFHSA-N
Compound name
(5R)-5-benzyl-3-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06703 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 148.2
[M+Na]+ 243.05625 157.6
[M-H]- 219.05975 151.5
[M+NH4]+ 238.10085 166.1
[M+K]+ 259.03019 152.4
[M+H-H2O]+ 203.06429 141.5
[M+HCOO]- 265.06523 163.0
[M+CH3COO]- 279.08088 183.9
[M+Na-2H]- 241.04170 147.4
[M]+ 220.06648 147.0
[M]- 220.06758 147.0
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

No patent data available for this compound.