CID 374557

Nsc652532

Structural Information

Molecular Formula
C20H14O6Se
SMILES
COC1=CC2=C(C=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C3=O)C=CC(=C4)OC
InChI
InChI=1S/C20H14O6Se/c1-23-11-3-5-13-15(7-11)25-9-17(19(13)21)27-18-10-26-16-8-12(24-2)4-6-14(16)20(18)22/h3-10H,1-2H3
InChIKey
SVGUFHZIOXAHAW-UHFFFAOYSA-N
Compound name
7-methoxy-3-(7-methoxy-4-oxochromen-3-yl)selanylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.99557 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.00285 194.5
[M+Na]+ 452.98479 206.5
[M-H]- 428.98829 205.4
[M+NH4]+ 448.02939 205.9
[M+K]+ 468.95873 204.8
[M+H-H2O]+ 412.99283 183.9
[M+HCOO]- 474.99377 215.6
[M+CH3COO]- 489.00942 206.5
[M+Na-2H]- 450.97024 201.3
[M]+ 429.99502 205.0
[M]- 429.99612 205.0
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.