CID 9602153

Mls003170673

Structural Information

Molecular Formula
C15H22N4S
SMILES
CCC1CCCCN1C(=S)N/N=C(\C)/C2=CC=CC=N2
InChI
InChI=1S/C15H22N4S/c1-3-13-8-5-7-11-19(13)15(20)18-17-12(2)14-9-4-6-10-16-14/h4,6,9-10,13H,3,5,7-8,11H2,1-2H3,(H,18,20)/b17-12+
InChIKey
MZACWVULBYILQW-SFQUDFHCSA-N
Compound name
2-ethyl-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.15652 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16380 168.7
[M+Na]+ 313.14574 172.1
[M-H]- 289.14924 172.7
[M+NH4]+ 308.19034 181.8
[M+K]+ 329.11968 167.7
[M+H-H2O]+ 273.15378 159.2
[M+HCOO]- 335.15472 182.6
[M+CH3COO]- 349.17037 206.6
[M+Na-2H]- 311.13119 169.2
[M]+ 290.15597 165.1
[M]- 290.15707 165.1
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

patents stripe