CID 54680452

3,3'-benzylidenebis(4-hydroxycoumarin)

Structural Information

Molecular Formula
C25H16O6
SMILES
C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C25H16O6/c26-22-15-10-4-6-12-17(15)30-24(28)20(22)19(14-8-2-1-3-9-14)21-23(27)16-11-5-7-13-18(16)31-25(21)29/h1-13,19,26-27H
InChIKey
GGWIGGMSOWGWLR-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-phenylmethyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

15
Patents

412.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.10198 196.9
[M+Na]+ 435.08392 207.4
[M-H]- 411.08742 208.5
[M+NH4]+ 430.12852 204.7
[M+K]+ 451.05786 204.4
[M+H-H2O]+ 395.09196 186.1
[M+HCOO]- 457.09290 214.3
[M+CH3COO]- 471.10855 207.3
[M+Na-2H]- 433.06937 202.9
[M]+ 412.09415 201.9
[M]- 412.09525 201.9
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.