CID 9567550

3608-79-5

Structural Information

Molecular Formula
C9H12N4S
SMILES
CCC1=NC=CC(=C1)/C=N/NC(=S)N
InChI
InChI=1S/C9H12N4S/c1-2-8-5-7(3-4-11-8)6-12-13-9(10)14/h3-6H,2H2,1H3,(H3,10,13,14)/b12-6+
InChIKey
PFCNIHAUOWBJQR-WUXMJOGZSA-N
Compound name
[(E)-(2-ethyl-4-pyridinyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07826 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.085536 144.4
[M+Na]+ 231.067478 151.3
[M-H]- 207.070984 147.7
[M+NH4]+ 226.112083 162.1
[M+K]+ 247.041418 147.5
[M+H-H2O]+ 191.075520 136.7
[M+HCOO]- 253.076461 165.4
[M+CH3COO]- 267.092111 193.3
[M+Na-2H]- 229.052926 148.2
[M]+ 208.07771142 143.7
[M]- 208.07880858 143.7
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.