CID 54677407

Robustic acid

Structural Information

Molecular Formula
C22H20O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)O)C
InChI
InChI=1S/C22H20O6/c1-22(2)10-9-14-15(28-22)11-16-18(20(14)26-4)19(23)17(21(24)27-16)12-5-7-13(25-3)8-6-12/h5-11,23H,1-4H3
InChIKey
MBZKDBQDALOSRP-UHFFFAOYSA-N
Compound name
6-hydroxy-5-methoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

82
Patents

380.12598 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 189.1
[M+Na]+ 403.11520 200.5
[M-H]- 379.11870 199.0
[M+NH4]+ 398.15980 202.2
[M+K]+ 419.08914 199.4
[M+H-H2O]+ 363.12324 179.8
[M+HCOO]- 425.12418 206.1
[M+CH3COO]- 439.13983 200.8
[M+Na-2H]- 401.10065 195.1
[M]+ 380.12543 197.3
[M]- 380.12653 197.3
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