CID 702572

Di-2-pyridylthiourea

Structural Information

Molecular Formula
C11H10N4S
SMILES
C1=CC=NC(=C1)NC(=S)NC2=CC=CC=N2
InChI
InChI=1S/C11H10N4S/c16-11(14-9-5-1-3-7-12-9)15-10-6-2-4-8-13-10/h1-8H,(H2,12,13,14,15,16)
InChIKey
VADXORVZZWERFF-UHFFFAOYSA-N
Compound name
1,3-dipyridin-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

230.06262 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06990 147.3
[M+Na]+ 253.05184 154.4
[M-H]- 229.05534 151.4
[M+NH4]+ 248.09644 162.2
[M+K]+ 269.02578 149.2
[M+H-H2O]+ 213.05988 138.7
[M+HCOO]- 275.06082 166.3
[M+CH3COO]- 289.07647 158.8
[M+Na-2H]- 251.03729 154.2
[M]+ 230.06207 145.7
[M]- 230.06317 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe