CID 85859469

Dillanol

Structural Information

Molecular Formula
C18H12O5
SMILES
COC1=CC2=C(C=C1)C=CC3=C2C(=O)C4=C(C=C(C=C4O3)O)O
InChI
InChI=1S/C18H12O5/c1-22-11-4-2-9-3-5-14-16(12(9)8-11)18(21)17-13(20)6-10(19)7-15(17)23-14/h2-8,19-20H,1H3
InChIKey
ZFAGJQRGJIBDCJ-UHFFFAOYSA-N
Compound name
9,11-dihydroxy-2-methoxybenzo[a]xanthen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

308.06848 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.075756 165.3
[M+Na]+ 331.057698 178.0
[M-H]- 307.061204 171.6
[M+NH4]+ 326.102303 181.2
[M+K]+ 347.031638 174.3
[M+H-H2O]+ 291.065740 157.7
[M+HCOO]- 353.066681 184.3
[M+CH3COO]- 367.082331 178.2
[M+Na-2H]- 329.043146 174.6
[M]+ 308.06793142 171.7
[M]- 308.06902858 171.7
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

patents stripe