CID 15127378

6,11-dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2h)-one

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1(C=CC2=CC(=C3C(=C2O1)OC4=C(C3=O)C=CC=C4O)O)C
InChI
InChI=1S/C18H14O5/c1-18(2)7-6-9-8-12(20)13-14(21)10-4-3-5-11(19)16(10)22-17(13)15(9)23-18/h3-8,19-20H,1-2H3
InChIKey
FPDAJKRMMGCXCC-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08414 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.091416 167.6
[M+Na]+ 333.073358 180.9
[M-H]- 309.076864 174.6
[M+NH4]+ 328.117963 184.3
[M+K]+ 349.047298 178.5
[M+H-H2O]+ 293.081400 160.1
[M+HCOO]- 355.082341 184.3
[M+CH3COO]- 369.097991 180.6
[M+Na-2H]- 331.058806 177.6
[M]+ 310.08359142 173.8
[M]- 310.08468858 173.8
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.