CID 9579561

Chembl440331

Structural Information

Molecular Formula
C13H19N5S
SMILES
CC1=NN=C(C=C1)/C(=N/NC(=S)N2CCCCC2)/C
InChI
InChI=1S/C13H19N5S/c1-10-6-7-12(16-14-10)11(2)15-17-13(19)18-8-4-3-5-9-18/h6-7H,3-5,8-9H2,1-2H3,(H,17,19)/b15-11+
InChIKey
MLDKDBKMZABBBM-RVDMUPIBSA-N
Compound name
N-[(E)-1-(6-methylpyridazin-3-yl)ethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.1361 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.14338 164.3
[M+Na]+ 300.12532 168.7
[M-H]- 276.12882 167.3
[M+NH4]+ 295.16992 176.6
[M+K]+ 316.09926 164.6
[M+H-H2O]+ 260.13336 154.5
[M+HCOO]- 322.13430 177.6
[M+CH3COO]- 336.14995 203.4
[M+Na-2H]- 298.11077 165.9
[M]+ 277.13555 160.6
[M]- 277.13665 160.6
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.