CID 85977017

Cajaquinone

Structural Information

Molecular Formula
C16H12O5
SMILES
CC1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3OC)O
InChI
InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)18)16(20)14-11(15(9)19)4-8(17)5-13(14)21-2/h3-6,17-18H,1-2H3
InChIKey
LKVVBLXHWZXDHZ-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

284.06848 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.075756 158.9
[M+Na]+ 307.057698 170.4
[M-H]- 283.061204 163.1
[M+NH4]+ 302.102303 176.4
[M+K]+ 323.031638 166.3
[M+H-H2O]+ 267.065740 152.8
[M+HCOO]- 329.066681 177.3
[M+CH3COO]- 343.082331 200.9
[M+Na-2H]- 305.043146 163.4
[M]+ 284.06793142 162.3
[M]- 284.06902858 162.3
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