CID 9579553

Chembl321490

Structural Information

Molecular Formula
C13H19N5S
SMILES
CC/C(=N\NC(=S)N1CCCCC1)/C2=NN=CC=C2
InChI
InChI=1S/C13H19N5S/c1-2-11(12-7-6-8-14-15-12)16-17-13(19)18-9-4-3-5-10-18/h6-8H,2-5,9-10H2,1H3,(H,17,19)/b16-11+
InChIKey
DJNKIYKQKSLRKZ-LFIBNONCSA-N
Compound name
N-[(E)-1-pyridazin-3-ylpropylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14338 163.5
[M+Na]+ 300.12532 167.0
[M-H]- 276.12882 166.2
[M+NH4]+ 295.16992 175.5
[M+K]+ 316.09926 162.9
[M+H-H2O]+ 260.13336 153.5
[M+HCOO]- 322.13430 176.9
[M+CH3COO]- 336.14995 202.3
[M+Na-2H]- 298.11077 165.9
[M]+ 277.13555 159.4
[M]- 277.13665 159.4
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.