CID 16074109

8-(3-iodo-1,4-dioxo-2-naphthyl)-9-methoxy-3,3-dimethyl-benzo[f]chromene-7,10-dione

Structural Information

Molecular Formula
C26H17IO6
SMILES
CC1(C=CC2=C(O1)C=CC3=C2C(=O)C(=C(C3=O)C4=C(C(=O)C5=CC=CC=C5C4=O)I)OC)C
InChI
InChI=1S/C26H17IO6/c1-26(2)11-10-14-16(33-26)9-8-15-17(14)24(31)25(32-3)19(22(15)29)18-20(27)23(30)13-7-5-4-6-12(13)21(18)28/h4-11H,1-3H3
InChIKey
HGSNPELEGQLNGY-UHFFFAOYSA-N
Compound name
8-(3-iodo-1,4-dioxonaphthalen-2-yl)-9-methoxy-3,3-dimethylbenzo[f]chromene-7,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

552.007 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 553.01428 203.1
[M+Na]+ 574.99622 207.3
[M-H]- 550.99972 205.8
[M+NH4]+ 570.04082 211.2
[M+K]+ 590.97016 209.6
[M+H-H2O]+ 535.00426 188.9
[M+HCOO]- 597.00520 212.8
[M+CH3COO]- 611.02085 209.1
[M+Na-2H]- 572.98167 195.1
[M]+ 552.00645 205.1
[M]- 552.00755 205.1
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

No patent data available for this compound.