CID 57370392

11h-furo[3,2-g]pyrano[3,2-b]xanthene

Structural Information

Molecular Formula
C18H12O3
SMILES
C1C=CC2=CC3=C(C=C2O1)OC45C=COC4=CC=CC5=C3
InChI
InChI=1S/C18H12O3/c1-4-14-10-13-9-12-3-2-7-19-15(12)11-16(13)21-18(14)6-8-20-17(18)5-1/h1-6,8-11H,7H2
InChIKey
GTRJKUJRDLJDHY-UHFFFAOYSA-N
Compound name
2,6,19-trioxapentacyclo[11.8.0.03,7.03,11.015,20]henicosa-1(13),4,7,9,11,14,16,20-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07864 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.08592 156.9
[M+Na]+ 299.06786 166.7
[M-H]- 275.07136 166.8
[M+NH4]+ 294.11246 176.0
[M+K]+ 315.04180 165.2
[M+H-H2O]+ 259.07590 149.4
[M+HCOO]- 321.07684 173.3
[M+CH3COO]- 335.09249 170.0
[M+Na-2H]- 297.05331 167.3
[M]+ 276.07809 159.6
[M]- 276.07919 159.6
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.