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 152.9
[M+Na]+ 283.09878 157.7
[M-H]- 259.10228 155.6
[M+NH4]+ 278.14338 170.5
[M+K]+ 299.07272 153.1
[M+H-H2O]+ 243.10682 145.5
[M+HCOO]- 305.10776 166.9
[M+CH3COO]- 319.12341 163.0
[M+Na-2H]- 281.08423 158.5
[M]+ 260.10901 148.5
[M]- 260.11011 148.5
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.