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 163.9
[M+Na]+ 304.08788 168.8
[M-H]- 280.09138 171.1
[M+NH4]+ 299.13248 179.6
[M+K]+ 320.06182 162.6
[M+H-H2O]+ 264.09592 155.1
[M+HCOO]- 326.09686 186.4
[M+CH3COO]- 340.11251 204.8
[M+Na-2H]- 302.07333 168.8
[M]+ 281.09811 162.5
[M]- 281.09921 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.