CID 2754846

Akos004909468

Structural Information

Molecular Formula
C19H32N2S3
SMILES
CCCCCCCSC1=CC(=CC(=N1)SCCCCCC)C(=S)N
InChI
InChI=1S/C19H32N2S3/c1-3-5-7-9-11-13-24-18-15-16(19(20)22)14-17(21-18)23-12-10-8-6-4-2/h14-15H,3-13H2,1-2H3,(H2,20,22)
InChIKey
GBZNOCPOBKDKES-UHFFFAOYSA-N
Compound name
2-heptylsulfanyl-6-hexylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17276 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18004 183.8
[M+Na]+ 407.16198 187.6
[M-H]- 383.16548 182.6
[M+NH4]+ 402.20658 194.4
[M+K]+ 423.13592 177.6
[M+H-H2O]+ 367.17002 175.4
[M+HCOO]- 429.17096 186.0
[M+CH3COO]- 443.18661 222.5
[M+Na-2H]- 405.14743 178.7
[M]+ 384.17221 187.0
[M]- 384.17331 187.0
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.