CID 9559205

4-piperidinobenzaldehyde thiosemicarbazone

Structural Information

Molecular Formula
C13H18N4S
SMILES
C1CCN(CC1)C2=CC=C(C=C2)/C=N/NC(=S)N
InChI
InChI=1S/C13H18N4S/c14-13(18)16-15-10-11-4-6-12(7-5-11)17-8-2-1-3-9-17/h4-7,10H,1-3,8-9H2,(H3,14,16,18)/b15-10+
InChIKey
FIEUOFRLARKBCW-XNTDXEJSSA-N
Compound name
[(E)-(4-piperidin-1-ylphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1252 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 158.6
[M+Na]+ 285.11442 167.7
[M+NH4]+ 280.15902 166.7
[M+K]+ 301.08836 159.1
[M-H]- 261.11792 163.8
[M+Na-2H]- 283.09987 165.4
[M]+ 262.12465 161.5
[M]- 262.12575 161.5
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

No patent data available for this compound.