CID 3002830

Chembl64712

Structural Information

Molecular Formula
C15H24N2S2
SMILES
CCCCCCCCCNC(=S)C1=CC=CNC1=S
InChI
InChI=1S/C15H24N2S2/c1-2-3-4-5-6-7-8-11-16-14(18)13-10-9-12-17-15(13)19/h9-10,12H,2-8,11H2,1H3,(H,16,18)(H,17,19)
InChIKey
IMWJLABKYBTPGG-UHFFFAOYSA-N
Compound name
N-nonyl-2-sulfanylidene-1H-pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.1381 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14538 166.0
[M+Na]+ 319.12732 171.0
[M-H]- 295.13082 165.5
[M+NH4]+ 314.17192 179.9
[M+K]+ 335.10126 162.9
[M+H-H2O]+ 279.13536 158.5
[M+HCOO]- 341.13630 174.9
[M+CH3COO]- 355.15195 202.2
[M+Na-2H]- 317.11277 164.2
[M]+ 296.13755 166.9
[M]- 296.13865 166.9
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.