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

literature stripe

Patent stripe

patents stripe