CID 3009107

2-tridecylsulfanylpyridine-4-carbothioamide

Structural Information

Molecular Formula
C19H32N2S2
SMILES
CCCCCCCCCCCCCSC1=NC=CC(=C1)C(=S)N
InChI
InChI=1S/C19H32N2S2/c1-2-3-4-5-6-7-8-9-10-11-12-15-23-18-16-17(19(20)22)13-14-21-18/h13-14,16H,2-12,15H2,1H3,(H2,20,22)
InChIKey
FDVBUGFZTCBICE-UHFFFAOYSA-N
Compound name
2-tridecylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.20068 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20796 182.5
[M+Na]+ 375.18990 185.8
[M-H]- 351.19340 182.0
[M+NH4]+ 370.23450 194.5
[M+K]+ 391.16384 178.0
[M+H-H2O]+ 335.19794 173.9
[M+HCOO]- 397.19888 190.9
[M+CH3COO]- 411.21453 217.0
[M+Na-2H]- 373.17535 178.4
[M]+ 352.20013 186.4
[M]- 352.20123 186.4
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.