CID 5351307

71555-25-4

Structural Information

Molecular Formula
C11H14N4S
SMILES
C/C(=N\NC(=S)N1CCC1)/C2=CC=CC=N2
InChI
InChI=1S/C11H14N4S/c1-9(10-5-2-3-6-12-10)13-14-11(16)15-7-4-8-15/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)/b13-9+
InChIKey
XDHBUMNIQRLHGO-UKTHLTGXSA-N
Compound name
N-[(E)-1-pyridin-2-ylethylideneamino]azetidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

57
Patents

234.09392 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.101196 152.3
[M+Na]+ 257.083138 155.6
[M-H]- 233.086644 156.5
[M+NH4]+ 252.127743 160.9
[M+K]+ 273.057078 155.9
[M+H-H2O]+ 217.091180 136.7
[M+HCOO]- 279.092121 168.1
[M+CH3COO]- 293.107771 197.8
[M+Na-2H]- 255.068586 154.5
[M]+ 234.09337142 158.9
[M]- 234.09446858 158.9
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.