CID 6475235

5-(3-alliloxybenzylidene)-2-thiohydantoin

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
C=CCOC1=CC=CC(=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C13H12N2O2S/c1-2-6-17-10-5-3-4-9(7-10)8-11-12(16)15-13(18)14-11/h2-5,7-8H,1,6H2,(H2,14,15,16,18)/b11-8+
InChIKey
JOGIRPZFCBPFAD-DHZHZOJOSA-N
Compound name
(5E)-5-[(3-prop-2-enoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

260.06195 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 159.5
[M+Na]+ 283.05117 167.9
[M-H]- 259.05467 161.1
[M+NH4]+ 278.09577 174.8
[M+K]+ 299.02511 160.6
[M+H-H2O]+ 243.05921 152.7
[M+HCOO]- 305.06015 172.7
[M+CH3COO]- 319.07580 187.3
[M+Na-2H]- 281.03662 157.4
[M]+ 260.06140 157.0
[M]- 260.06250 157.0
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.