CID 477657

4-(4-cyanopyridine-2-ylthio)butanamidine

Structural Information

Molecular Formula
C10H12N4S
SMILES
C1=CN=C(C=C1C(=N)N)SCCCC#N
InChI
InChI=1S/C10H12N4S/c11-4-1-2-6-15-9-7-8(10(12)13)3-5-14-9/h3,5,7H,1-2,6H2,(H3,12,13)
InChIKey
FSSLPMPUBWKHTK-UHFFFAOYSA-N
Compound name
2-(3-cyanopropylsulfanyl)pyridine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

220.07826 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08554 152.5
[M+Na]+ 243.06748 160.6
[M-H]- 219.07098 154.0
[M+NH4]+ 238.11208 167.4
[M+K]+ 259.04142 157.0
[M+H-H2O]+ 203.07552 138.6
[M+HCOO]- 265.07646 167.0
[M+CH3COO]- 279.09211 203.3
[M+Na-2H]- 241.05293 154.4
[M]+ 220.07771 146.7
[M]- 220.07881 146.7
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.