CID 135883940

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

Structural Information

Molecular Formula
C28H20N2O6
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2C=NC3=CC=CC=C3N=CC4=C(C=CC5=C4OC(=O)C=C5C)O)O
InChI
InChI=1S/C28H20N2O6/c1-15-11-25(33)35-27-17(15)7-9-23(31)19(27)13-29-21-5-3-4-6-22(21)30-14-20-24(32)10-8-18-16(2)12-26(34)36-28(18)20/h3-14,31-32H,1-2H3
InChIKey
DGMUOBMUJREDJF-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylideneamino]phenyl]iminomethyl]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.13214 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.13942 221.4
[M+Na]+ 503.12136 233.0
[M-H]- 479.12486 235.8
[M+NH4]+ 498.16596 227.8
[M+K]+ 519.09530 229.8
[M+H-H2O]+ 463.12940 208.7
[M+HCOO]- 525.13034 243.6
[M+CH3COO]- 539.14599 231.4
[M+Na-2H]- 501.10681 226.4
[M]+ 480.13159 229.7
[M]- 480.13269 229.7
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

No patent data available for this compound.