CID 2393947

3-(2-hydroxyethyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O4
SMILES
C1=CC=C2C(=C1)C(=NN(C2=O)CCO)C(=O)O
InChI
InChI=1S/C11H10N2O4/c14-6-5-13-10(15)8-4-2-1-3-7(8)9(12-13)11(16)17/h1-4,14H,5-6H2,(H,16,17)
InChIKey
FDYWMLCMENHFNT-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

234.06406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.07134 147.9
[M+Na]+ 257.05328 157.7
[M-H]- 233.05678 147.8
[M+NH4]+ 252.09788 162.9
[M+K]+ 273.02722 154.0
[M+H-H2O]+ 217.06132 140.6
[M+HCOO]- 279.06226 166.1
[M+CH3COO]- 293.07791 186.4
[M+Na-2H]- 255.03873 154.1
[M]+ 234.06351 149.5
[M]- 234.06461 149.5
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.