CID 9554746

Nsc667888

Structural Information

Molecular Formula
C12H16N4S
SMILES
C1CCN(CC1)C(=S)N/N=C/C2=CC=CC=N2
InChI
InChI=1S/C12H16N4S/c17-12(16-8-4-1-5-9-16)15-14-10-11-6-2-3-7-13-11/h2-3,6-7,10H,1,4-5,8-9H2,(H,15,17)/b14-10+
InChIKey
SLOCYEFBRCHUHA-GXDHUFHOSA-N
Compound name
N-[(E)-pyridin-2-ylmethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.10957 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11685 155.0
[M+Na]+ 271.09879 159.2
[M-H]- 247.10229 159.1
[M+NH4]+ 266.14339 169.6
[M+K]+ 287.07273 155.0
[M+H-H2O]+ 231.10683 145.7
[M+HCOO]- 293.10777 171.0
[M+CH3COO]- 307.12342 195.6
[M+Na-2H]- 269.08424 158.7
[M]+ 248.10902 150.6
[M]- 248.11012 150.6
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.