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]+ 235.071336 147.9
[M+Na]+ 257.053278 157.7
[M-H]- 233.056784 147.8
[M+NH4]+ 252.097883 162.9
[M+K]+ 273.027218 154.0
[M+H-H2O]+ 217.061320 140.6
[M+HCOO]- 279.062261 166.1
[M+CH3COO]- 293.077911 186.4
[M+Na-2H]- 255.038726 154.1
[M]+ 234.06351142 149.5
[M]- 234.06460858 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.