CID 167733052

N-[(6,7-dihydroxy-2-oxo-2h-chromen-4-yl)methyl]-4-oxo-3-phenyl-3,4-dihydrophthalazine-1-carboxamide

Structural Information

Molecular Formula
C25H17N3O6
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC(=O)OC5=CC(=C(C=C45)O)O
InChI
InChI=1S/C25H17N3O6/c29-19-11-18-14(10-22(31)34-21(18)12-20(19)30)13-26-24(32)23-16-8-4-5-9-17(16)25(33)28(27-23)15-6-2-1-3-7-15/h1-12,29-30H,13H2,(H,26,32)
InChIKey
DXYCMMVPVKHAIO-UHFFFAOYSA-N
Compound name
N-[(6,7-dihydroxy-2-oxochromen-4-yl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.11172 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11900 208.3
[M+Na]+ 478.10094 218.3
[M-H]- 454.10444 216.7
[M+NH4]+ 473.14554 212.5
[M+K]+ 494.07488 213.3
[M+H-H2O]+ 438.10898 195.7
[M+HCOO]- 500.10992 224.9
[M+CH3COO]- 514.12557 216.7
[M+Na-2H]- 476.08639 214.2
[M]+ 455.11117 212.6
[M]- 455.11227 212.6
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

No patent data available for this compound.