CID 683539

1-benzyl-1,2,3,6-tetrahydropyridazine-3,6-dione

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC(=O)N2
InChI
InChI=1S/C11H10N2O2/c14-10-6-7-11(15)13(12-10)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKey
JXOUKUODPDOMDY-UHFFFAOYSA-N
Compound name
2-benzyl-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

202.07423 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 140.8
[M+Na]+ 225.063448 150.7
[M-H]- 201.066954 144.1
[M+NH4]+ 220.108053 156.5
[M+K]+ 241.037388 146.0
[M+H-H2O]+ 185.071490 132.7
[M+HCOO]- 247.072431 162.8
[M+CH3COO]- 261.088081 180.7
[M+Na-2H]- 223.048896 148.7
[M]+ 202.07368142 140.2
[M]- 202.07477858 140.2
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