CID 6475231

5-(4-methoxy-2,5-dimethylobenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=CC(=C(C=C1OC)C)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C13H14N2O2S/c1-7-5-11(17-3)8(2)4-9(7)6-10-12(16)15-13(18)14-10/h4-6H,1-3H3,(H2,14,15,16,18)/b10-6+
InChIKey
ITHXRURJHNIMDO-UXBLZVDNSA-N
Compound name
(5E)-5-[(4-methoxy-2,5-dimethylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 159.8
[M+Na]+ 285.06682 169.6
[M-H]- 261.07032 162.1
[M+NH4]+ 280.11142 175.7
[M+K]+ 301.04076 163.0
[M+H-H2O]+ 245.07486 153.6
[M+HCOO]- 307.07580 172.7
[M+CH3COO]- 321.09145 190.6
[M+Na-2H]- 283.05227 156.4
[M]+ 262.07705 158.9
[M]- 262.07815 158.9
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.