CID 3001618

2-bromo-6-butylthio-4-pyridinecarbothioamide

Structural Information

Molecular Formula
C10H13BrN2S2
SMILES
CCCCSC1=NC(=CC(=C1)C(=S)N)Br
InChI
InChI=1S/C10H13BrN2S2/c1-2-3-4-15-9-6-7(10(12)14)5-8(11)13-9/h5-6H,2-4H2,1H3,(H2,12,14)
InChIKey
XURQZYBMRVTZDB-UHFFFAOYSA-N
Compound name
2-bromo-6-butylsulfanylpyridine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.97034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.97762 140.0
[M+Na]+ 326.95956 151.8
[M-H]- 302.96306 144.4
[M+NH4]+ 322.00416 158.3
[M+K]+ 342.93350 136.9
[M+H-H2O]+ 286.96760 139.3
[M+HCOO]- 348.96854 149.8
[M+CH3COO]- 362.98419 200.9
[M+Na-2H]- 324.94501 142.3
[M]+ 303.96979 159.6
[M]- 303.97089 159.6
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.