CID 5383243

1-ketojulolidine thiosemicarbazone

Structural Information

Molecular Formula
C13H16N4S
SMILES
C1CC2=C3C(=CC=C2)/C(=N/NC(=S)N)/CCN3C1
InChI
InChI=1S/C13H16N4S/c14-13(18)16-15-11-6-8-17-7-2-4-9-3-1-5-10(11)12(9)17/h1,3,5H,2,4,6-8H2,(H3,14,16,18)/b15-11+
InChIKey
SVNVKRXDKDLTEB-RVDMUPIBSA-N
Compound name
[(E)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.10956 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11684 154.0
[M+Na]+ 283.09878 163.4
[M+NH4]+ 278.14338 163.3
[M+K]+ 299.07272 154.6
[M-H]- 259.10228 157.9
[M+Na-2H]- 281.08423 158.2
[M]+ 260.10901 156.6
[M]- 260.11011 156.6
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.