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

2
Patents

308.06848 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07576 166.3
[M+Na]+ 331.05770 184.5
[M+NH4]+ 326.10230 175.1
[M+K]+ 347.03164 176.9
[M-H]- 307.06120 171.4
[M+Na-2H]- 329.04315 172.6
[M]+ 308.06793 170.7
[M]- 308.06903 170.7
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