CID 5320451

Artoindonesianin t

Structural Information

Molecular Formula
C21H18O7
SMILES
CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)O
InChI
InChI=1S/C21H18O7/c1-8(2)10-6-11-19(25)17-12(23)4-9(22)5-14(17)28-21(11)18-13(24)7-15(27-3)20(26)16(10)18/h4-5,7,10,22-24,26H,1,6H2,2-3H3
InChIKey
PACGEOWZLGJTSP-UHFFFAOYSA-N
Compound name
1,4,8,10-tetrahydroxy-3-methoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.10526 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.11254 186.1
[M+Na]+ 405.09448 196.2
[M-H]- 381.09798 189.1
[M+NH4]+ 400.13908 197.5
[M+K]+ 421.06842 193.0
[M+H-H2O]+ 365.10252 178.9
[M+HCOO]- 427.10346 197.2
[M+CH3COO]- 441.11911 219.2
[M+Na-2H]- 403.07993 188.4
[M]+ 382.10471 190.1
[M]- 382.10581 190.1
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

No patent data available for this compound.