CID 5481483

1-pyridazin-4-yl-3-[2-(2-pyridyl)ethyl]thiourea

Structural Information

Molecular Formula
C12H13N5S
SMILES
C1=CC=NC(=C1)CCNC(=S)NC2=CN=NC=C2
InChI
InChI=1S/C12H13N5S/c18-12(17-11-5-8-15-16-9-11)14-7-4-10-3-1-2-6-13-10/h1-3,5-6,8-9H,4,7H2,(H2,14,15,17,18)
InChIKey
ILYOPVVQAHUVOK-UHFFFAOYSA-N
Compound name
1-pyridazin-4-yl-3-(2-pyridin-2-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08917 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09645 155.4
[M+Na]+ 282.07839 162.1
[M-H]- 258.08189 157.9
[M+NH4]+ 277.12299 167.8
[M+K]+ 298.05233 156.4
[M+H-H2O]+ 242.08643 145.8
[M+HCOO]- 304.08737 172.7
[M+CH3COO]- 318.10302 165.7
[M+Na-2H]- 280.06384 162.0
[M]+ 259.08862 154.6
[M]- 259.08972 154.6
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.