CID 22357942

Versiconol

Structural Information

Molecular Formula
C18H16O8
SMILES
C1=C(C=C(C2=C1C(=O)C3=CC(=C(C(=C3C2=O)O)C(CCO)CO)O)O)O
InChI
InChI=1S/C18H16O8/c19-2-1-7(6-20)13-12(23)5-10-15(17(13)25)18(26)14-9(16(10)24)3-8(21)4-11(14)22/h3-5,7,19-23,25H,1-2,6H2
InChIKey
ZLIRCPWCWHTYNP-UHFFFAOYSA-N
Compound name
2-(1,4-dihydroxybutan-2-yl)-1,3,6,8-tetrahydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

9
Patents

360.0845 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.09178 177.4
[M+Na]+ 383.07372 185.7
[M-H]- 359.07722 175.9
[M+NH4]+ 378.11832 188.5
[M+K]+ 399.04766 181.6
[M+H-H2O]+ 343.08176 171.6
[M+HCOO]- 405.08270 188.1
[M+CH3COO]- 419.09835 208.7
[M+Na-2H]- 381.05917 177.7
[M]+ 360.08395 178.6
[M]- 360.08505 178.6
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

patents stripe