CID 9588950

(e,e)-2-(3-(4-pyridinyl)-2-propenylidene)hydrazinecarbothioamide

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]+ 207.06990 143.5
[M+Na]+ 229.05184 149.9
[M-H]- 205.05534 146.5
[M+NH4]+ 224.09644 161.0
[M+K]+ 245.02578 145.5
[M+H-H2O]+ 189.05988 135.6
[M+HCOO]- 251.06082 164.8
[M+CH3COO]- 265.07647 190.6
[M+Na-2H]- 227.03729 148.0
[M]+ 206.06207 141.6
[M]- 206.06317 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.