CID 485882

3-(2,3-dihydroxypropyl)-2-phenyl-2,3-dihydrophthalazine-1,4-dione

Structural Information

Molecular Formula
C17H16N2O4
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=O)N2CC(CO)O
InChI
InChI=1S/C17H16N2O4/c20-11-13(21)10-18-16(22)14-8-4-5-9-15(14)17(23)19(18)12-6-2-1-3-7-12/h1-9,13,20-21H,10-11H2
InChIKey
CZMLHKRFFOMPQL-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxypropyl)-3-phenylphthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.111 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.11828 170.5
[M+Na]+ 335.10022 179.6
[M-H]- 311.10372 173.4
[M+NH4]+ 330.14482 181.9
[M+K]+ 351.07416 174.1
[M+H-H2O]+ 295.10826 161.2
[M+HCOO]- 357.10920 187.8
[M+CH3COO]- 371.12485 202.0
[M+Na-2H]- 333.08567 175.2
[M]+ 312.11045 171.8
[M]- 312.11155 171.8
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.