CID 3002262

6-phenylthio-5-propyl-2-pyrazinecarbothioamide

Structural Information

Molecular Formula
C14H15N3S2
SMILES
CCCC1=NC=C(N=C1SC2=CC=CC=C2)C(=S)N
InChI
InChI=1S/C14H15N3S2/c1-2-6-11-14(17-12(9-16-11)13(15)18)19-10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,15,18)
InChIKey
OGCMVYWLWJXZNE-UHFFFAOYSA-N
Compound name
6-phenylsulfanyl-5-propylpyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.07074 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07802 161.0
[M+Na]+ 312.05996 169.4
[M-H]- 288.06346 164.3
[M+NH4]+ 307.10456 174.4
[M+K]+ 328.03390 161.7
[M+H-H2O]+ 272.06800 152.9
[M+HCOO]- 334.06894 171.7
[M+CH3COO]- 348.08459 171.3
[M+Na-2H]- 310.04541 161.4
[M]+ 289.07019 161.8
[M]- 289.07129 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.