CID 9554749

Nsc667892

Structural Information

Molecular Formula
C13H18N4S
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)N2CCCCC2
InChI
InChI=1S/C13H18N4S/c1-11-6-5-7-12(15-11)10-14-16-13(18)17-8-3-2-4-9-17/h5-7,10H,2-4,8-9H2,1H3,(H,16,18)/b14-10+
InChIKey
YFCZEYSSYGJTIZ-GXDHUFHOSA-N
Compound name
N-[(E)-(6-methylpyridin-2-yl)methylideneamino]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.1252 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 159.9
[M+Na]+ 285.11442 164.5
[M-H]- 261.11792 164.2
[M+NH4]+ 280.15902 174.2
[M+K]+ 301.08836 160.1
[M+H-H2O]+ 245.12246 150.6
[M+HCOO]- 307.12340 175.5
[M+CH3COO]- 321.13905 199.7
[M+Na-2H]- 283.09987 162.3
[M]+ 262.12465 156.2
[M]- 262.12575 156.2
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.