CID 348622

Ethyl 2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetate

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CCOC(=O)CC1=NNC(=O)C2=CC=CC=C21
InChI
InChI=1S/C12H12N2O3/c1-2-17-11(15)7-10-8-5-3-4-6-9(8)12(16)14-13-10/h3-6H,2,7H2,1H3,(H,14,16)
InChIKey
XBIOFKSFKYRIIX-UHFFFAOYSA-N
Compound name
ethyl 2-(4-oxo-3H-phthalazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

56
Patents

232.0848 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 149.4
[M+Na]+ 255.074018 158.5
[M-H]- 231.077524 150.1
[M+NH4]+ 250.118623 165.1
[M+K]+ 271.047958 154.8
[M+H-H2O]+ 215.082060 141.7
[M+HCOO]- 277.083001 168.7
[M+CH3COO]- 291.098651 187.7
[M+Na-2H]- 253.059466 156.3
[M]+ 232.08425142 151.3
[M]- 232.08534858 151.3
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