CID 387609

Nsc681618

Structural Information

Molecular Formula
C17H12O4
SMILES
COC1=CC2=C(C=C1)OCC3=C2OC4=CC=CC=C4C3=O
InChI
InChI=1S/C17H12O4/c1-19-10-6-7-14-12(8-10)17-13(9-20-14)16(18)11-4-2-3-5-15(11)21-17/h2-8H,9H2,1H3
InChIKey
GEZYLPPXOIRWMN-UHFFFAOYSA-N
Compound name
2-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]+ 281.080826 157.9
[M+Na]+ 303.062768 168.8
[M-H]- 279.066274 166.3
[M+NH4]+ 298.107373 174.5
[M+K]+ 319.036708 167.1
[M+H-H2O]+ 263.070810 149.9
[M+HCOO]- 325.071751 176.6
[M+CH3COO]- 339.087401 171.2
[M+Na-2H]- 301.048216 168.5
[M]+ 280.07300142 163.0
[M]- 280.07409858 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.