CID 44257514

Machaerol c

Structural Information

Molecular Formula
C18H20O7
SMILES
COC1=C(C(=C(C=C1)C2CC3=CC(=C(C(=C3OC2)O)OC)O)O)OC
InChI
InChI=1S/C18H20O7/c1-22-13-5-4-11(14(20)18(13)24-3)10-6-9-7-12(19)17(23-2)15(21)16(9)25-8-10/h4-5,7,10,19-21H,6,8H2,1-3H3
InChIKey
MPMBSINUBZFOIE-UHFFFAOYSA-N
Compound name
3-(2-hydroxy-3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-6,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

348.1209 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.12818 178.2
[M+Na]+ 371.11012 186.5
[M-H]- 347.11362 183.5
[M+NH4]+ 366.15472 189.6
[M+K]+ 387.08406 185.2
[M+H-H2O]+ 331.11816 170.5
[M+HCOO]- 393.11910 193.7
[M+CH3COO]- 407.13475 209.6
[M+Na-2H]- 369.09557 180.4
[M]+ 348.12035 182.8
[M]- 348.12145 182.8
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