CID 135883941

7-hydroxy-8-[(e)-2-[(e)-(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyleneamino]ethyliminomethyl]-4-methyl-chromen-2-one

Structural Information

Molecular Formula
C24H20N2O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C=NCCN=CC3=C(C=CC4=C3OC(=O)C=C4C)O)O
InChI
InChI=1S/C24H20N2O6/c1-13-9-21(29)31-23-15(13)3-5-19(27)17(23)11-25-7-8-26-12-18-20(28)6-4-16-14(2)10-22(30)32-24(16)18/h3-6,9-12,27-28H,7-8H2,1-2H3
InChIKey
YQDKLWIATDHEQS-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylideneamino]ethyliminomethyl]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.13214 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.13942 206.2
[M+Na]+ 455.12136 217.8
[M-H]- 431.12486 217.6
[M+NH4]+ 450.16596 215.2
[M+K]+ 471.09530 215.0
[M+H-H2O]+ 415.12940 195.3
[M+HCOO]- 477.13034 229.1
[M+CH3COO]- 491.14599 237.4
[M+Na-2H]- 453.10681 212.1
[M]+ 432.13159 215.8
[M]- 432.13269 215.8
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.