CID 20113727

1-[(3-aminophenyl)methyl]-1,2,3,6-tetrahydropyridazine-3,6-dione

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC(=CC(=C1)N)CN2C(=O)C=CC(=O)N2
InChI
InChI=1S/C11H11N3O2/c12-9-3-1-2-8(6-9)7-14-11(16)5-4-10(15)13-14/h1-6H,7,12H2,(H,13,15)
InChIKey
GYPNMLSKNDYTPV-UHFFFAOYSA-N
Compound name
2-[(3-aminophenyl)methyl]-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 145.9
[M+Na]+ 240.07435 160.1
[M+NH4]+ 235.11895 152.6
[M+K]+ 256.04829 154.0
[M-H]- 216.07785 148.6
[M+Na-2H]- 238.05980 154.2
[M]+ 217.08458 148.5
[M]- 217.08568 148.5
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.