CID 9588950

174502-92-2

Structural Information

Molecular Formula
C9H10N4S
SMILES
C1=CN=CC=C1/C=C/C=N/NC(=S)N
InChI
InChI=1S/C9H10N4S/c10-9(14)13-12-5-1-2-8-3-6-11-7-4-8/h1-7H,(H3,10,13,14)/b2-1+,12-5+
InChIKey
MNBLIJAZDTYTJI-LYTCUFGASA-N
Compound name
[(E)-[(E)-3-pyridin-4-ylprop-2-enylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.06262 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.069896 143.5
[M+Na]+ 229.051838 149.9
[M-H]- 205.055344 146.5
[M+NH4]+ 224.096443 161.0
[M+K]+ 245.025778 145.5
[M+H-H2O]+ 189.059880 135.6
[M+HCOO]- 251.060821 164.8
[M+CH3COO]- 265.076471 190.6
[M+Na-2H]- 227.037286 148.0
[M]+ 206.06207142 141.6
[M]- 206.06316858 141.6
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.