CID 9579137

3-phenylacrylaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C16H15N3S
SMILES
C1=CC=C(C=C1)/C=C/C=N/NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H15N3S/c20-16(18-15-11-5-2-6-12-15)19-17-13-7-10-14-8-3-1-4-9-14/h1-13H,(H2,18,19,20)/b10-7+,17-13+
InChIKey
VUSJWJPMCCHPMX-UVZCHINQSA-N
Compound name
1-phenyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.09866 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.105936 163.9
[M+Na]+ 304.087878 168.8
[M-H]- 280.091384 171.1
[M+NH4]+ 299.132483 179.6
[M+K]+ 320.061818 162.6
[M+H-H2O]+ 264.095920 155.1
[M+HCOO]- 326.096861 186.4
[M+CH3COO]- 340.112511 204.8
[M+Na-2H]- 302.073326 168.8
[M]+ 281.09811142 162.5
[M]- 281.09920858 162.5
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.