CID 9559205

63916-23-4

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]+ 263.132476 158.3
[M+Na]+ 285.114418 161.9
[M-H]- 261.117924 163.3
[M+NH4]+ 280.159023 173.2
[M+K]+ 301.088358 157.2
[M+H-H2O]+ 245.122460 149.5
[M+HCOO]- 307.123401 175.5
[M+CH3COO]- 321.139051 202.1
[M+Na-2H]- 283.099866 160.4
[M]+ 262.12465142 152.5
[M]- 262.12574858 152.5
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.