CID 6174933

735289-89-1

Structural Information

Molecular Formula
C25H16N2O7
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC4=CC(=O)OC5=CC(=C(C=C45)O)O
InChI
InChI=1S/C25H16N2O7/c28-19-11-18-14(10-22(30)34-21(18)12-20(19)29)13-33-25(32)23-16-8-4-5-9-17(16)24(31)27(26-23)15-6-2-1-3-7-15/h1-12,28-29H,13H2
InChIKey
OUVORXCNFUVMJW-UHFFFAOYSA-N
Compound name
(6,7-dihydroxy-2-oxochromen-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

456.09576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.10304 207.7
[M+Na]+ 479.08498 218.2
[M-H]- 455.08848 216.1
[M+NH4]+ 474.12958 212.0
[M+K]+ 495.05892 213.9
[M+H-H2O]+ 439.09302 194.9
[M+HCOO]- 501.09396 223.3
[M+CH3COO]- 515.10961 216.3
[M+Na-2H]- 477.07043 212.8
[M]+ 456.09521 213.7
[M]- 456.09631 213.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe