CID 786679

1-benzyl-3-cinnamoyl-2-thiourea

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1=CC=C(C=C1)CNC(=S)NC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H16N2OS/c20-16(12-11-14-7-3-1-4-8-14)19-17(21)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,18,19,20,21)/b12-11+
InChIKey
NGODYGDCMXDGFI-VAWYXSNFSA-N
Compound name
(E)-N-(benzylcarbamothioyl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

296.09833 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 169.2
[M+Na]+ 319.08755 180.4
[M+NH4]+ 314.13215 177.0
[M+K]+ 335.06149 170.6
[M-H]- 295.09105 174.1
[M+Na-2H]- 317.07300 177.5
[M]+ 296.09778 172.5
[M]- 296.09888 172.5
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

patents stripe