CID 6433721

[[(e)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C(=O)NNC(=S)N
InChI
InChI=1S/C11H11N3O2S/c12-11(17)14-13-10(16)7-6-9(15)8-4-2-1-3-5-8/h1-7H,(H,13,16)(H3,12,14,17)/b7-6+
InChIKey
CMFIGQMBHBJBFU-VOTSOKGWSA-N
Compound name
[[(E)-4-oxo-4-phenylbut-2-enoyl]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0572 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 156.0
[M+Na]+ 272.04642 162.8
[M+NH4]+ 267.09102 161.7
[M+K]+ 288.02036 156.9
[M-H]- 248.04992 157.1
[M+Na-2H]- 270.03187 159.7
[M]+ 249.05665 157.1
[M]- 249.05775 157.1
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.