CID 2440048

571155-01-6

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)O
InChI
InChI=1S/C12H12N2O3/c1-7(2)14-11(15)9-6-4-3-5-8(9)10(13-14)12(16)17/h3-7H,1-2H3,(H,16,17)
InChIKey
HIMMXXFRGQLXGJ-UHFFFAOYSA-N
Compound name
4-oxo-3-propan-2-ylphthalazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 148.7
[M+Na]+ 255.074018 158.4
[M-H]- 231.077524 149.9
[M+NH4]+ 250.118623 164.6
[M+K]+ 271.047958 155.3
[M+H-H2O]+ 215.082060 141.4
[M+HCOO]- 277.083001 167.0
[M+CH3COO]- 291.098651 190.5
[M+Na-2H]- 253.059466 153.7
[M]+ 232.08425142 150.5
[M]- 232.08534858 150.5
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

No patent data available for this compound.