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 165.3
[M+Na]+ 331.05770 178.0
[M-H]- 307.06120 171.6
[M+NH4]+ 326.10230 181.2
[M+K]+ 347.03164 174.3
[M+H-H2O]+ 291.06574 157.7
[M+HCOO]- 353.06668 184.3
[M+CH3COO]- 367.08233 178.2
[M+Na-2H]- 329.04315 174.6
[M]+ 308.06793 171.7
[M]- 308.06903 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