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]+ 282.10594 165.2
[M+Na]+ 304.08788 176.7
[M+NH4]+ 299.13248 173.7
[M+K]+ 320.06182 165.9
[M-H]- 280.09138 171.6
[M+Na-2H]- 302.07333 174.8
[M]+ 281.09811 168.9
[M]- 281.09921 168.9
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.