CID 387610

Nsc681619

Structural Information

Molecular Formula
C17H12O4
SMILES
COC1=CC2=C(C=C1)C3=C(CO2)C(=O)C4=CC=CC=C4O3
InChI
InChI=1S/C17H12O4/c1-19-10-6-7-12-15(8-10)20-9-13-16(18)11-4-2-3-5-14(11)21-17(12)13/h2-8H,9H2,1H3
InChIKey
PWZMSAMMCDWPMJ-UHFFFAOYSA-N
Compound name
3-methoxy-6H-chromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.07355 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08083 157.9
[M+Na]+ 303.06277 168.8
[M-H]- 279.06627 166.3
[M+NH4]+ 298.10737 174.5
[M+K]+ 319.03671 167.1
[M+H-H2O]+ 263.07081 149.9
[M+HCOO]- 325.07175 176.6
[M+CH3COO]- 339.08740 171.2
[M+Na-2H]- 301.04822 168.5
[M]+ 280.07300 163.0
[M]- 280.07410 163.0
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.