CID 745583

5-piperonylidene-2-thiohydantoin

Structural Information

Molecular Formula
C11H8N2O3S
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)NC(=S)N3
InChI
InChI=1S/C11H8N2O3S/c14-10-7(12-11(17)13-10)3-6-1-2-8-9(4-6)16-5-15-8/h1-4H,5H2,(H2,12,13,14,17)/b7-3+
InChIKey
PKAJHHBFVYAMMP-XVNBXDOJSA-N
Compound name
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

248.02556 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03284 153.4
[M+Na]+ 271.01478 163.2
[M-H]- 247.01828 157.8
[M+NH4]+ 266.05938 169.5
[M+K]+ 286.98872 159.7
[M+H-H2O]+ 231.02282 148.8
[M+HCOO]- 293.02376 165.2
[M+CH3COO]- 307.03941 165.2
[M+Na-2H]- 269.00023 153.0
[M]+ 248.02501 152.2
[M]- 248.02611 152.2
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

No patent data available for this compound.