CID 54692153

Nsc686396

Structural Information

Molecular Formula
C25H14O6
SMILES
C1=CC=C2C(=C1)C(C3=C(O2)C4=CC=CC=C4OC3=O)C5=C(C6=CC=CC=C6OC5=O)O
InChI
InChI=1S/C25H14O6/c26-22-14-8-2-5-11-17(14)30-24(27)20(22)19-13-7-1-4-10-16(13)29-23-15-9-3-6-12-18(15)31-25(28)21(19)23/h1-12,19,26H
InChIKey
OALUGYLIPAUKCN-UHFFFAOYSA-N
Compound name
7-(4-hydroxy-2-oxochromen-3-yl)-7H-chromeno[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

6
Patents

410.07904 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08632 194.2
[M+Na]+ 433.06826 206.6
[M-H]- 409.07176 206.4
[M+NH4]+ 428.11286 203.6
[M+K]+ 449.04220 204.6
[M+H-H2O]+ 393.07630 182.7
[M+HCOO]- 455.07724 209.4
[M+CH3COO]- 469.09289 205.2
[M+Na-2H]- 431.05371 203.3
[M]+ 410.07849 200.8
[M]- 410.07959 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe