CID 5484390

Mls003115601

Structural Information

Molecular Formula
C13H18N4S
SMILES
C/C(=N\NC(=S)N1CCCCC1)/C2=CC=CC=N2
InChI
InChI=1S/C13H18N4S/c1-11(12-7-3-4-8-14-12)15-16-13(18)17-9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,16,18)/b15-11+
InChIKey
JLQJXIRORURHRB-RVDMUPIBSA-N
Compound name
N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

13
Patents

262.1252 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 159.7
[M+Na]+ 285.11442 163.1
[M-H]- 261.11792 163.7
[M+NH4]+ 280.15902 173.7
[M+K]+ 301.08836 159.3
[M+H-H2O]+ 245.12246 150.4
[M+HCOO]- 307.12340 174.3
[M+CH3COO]- 321.13905 199.5
[M+Na-2H]- 283.09987 161.9
[M]+ 262.12465 155.1
[M]- 262.12575 155.1
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

No patent data available for this compound.