CID 265886

1,2-dihydro-1-(2-(2-pyridyl)-ethyl)-3,6-pyridazinedione

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC=NC(=C1)CCN2C(=O)C=CC(=O)N2
InChI
InChI=1S/C11H11N3O2/c15-10-4-5-11(16)14(13-10)8-6-9-3-1-2-7-12-9/h1-5,7H,6,8H2,(H,13,15)
InChIKey
PROYVMUMAGQVQF-UHFFFAOYSA-N
Compound name
2-(2-pyridin-2-ylethyl)-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

17
Patents

217.08513 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.1
[M+Na]+ 240.07435 155.9
[M-H]- 216.07785 147.8
[M+NH4]+ 235.11895 159.7
[M+K]+ 256.04829 150.9
[M+H-H2O]+ 200.08239 136.9
[M+HCOO]- 262.08333 166.6
[M+CH3COO]- 276.09898 183.6
[M+Na-2H]- 238.05980 153.8
[M]+ 217.08458 145.9
[M]- 217.08568 145.9
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