CID 6475232

Schembl13479547

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)NC(=S)N2
InChI
InChI=1S/C13H12N2OS/c1-9(7-10-5-3-2-4-6-10)8-11-12(16)15-13(17)14-11/h2-8H,1H3,(H2,14,15,16,17)/b9-7+,11-8+
InChIKey
OPQKJTOYYQZONP-BIZFVBGRSA-N
Compound name
(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

244.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 156.9
[M+Na]+ 267.05625 164.4
[M-H]- 243.05975 158.3
[M+NH4]+ 262.10085 172.6
[M+K]+ 283.03019 157.2
[M+H-H2O]+ 227.06429 150.1
[M+HCOO]- 289.06523 168.9
[M+CH3COO]- 303.08088 184.2
[M+Na-2H]- 265.04170 154.3
[M]+ 244.06648 152.0
[M]- 244.06758 152.0
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.