CID 4262362

Robustic acid methyl ether

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1(C=CC2=C(O1)C=C3C(=C2OC)C(=C(C(=O)O3)C4=CC=C(C=C4)OC)OC)C
InChI
InChI=1S/C23H22O6/c1-23(2)11-10-15-16(29-23)12-17-19(20(15)26-4)21(27-5)18(22(24)28-17)13-6-8-14(25-3)9-7-13/h6-12H,1-5H3
InChIKey
UPHWJAWTGRBPAJ-UHFFFAOYSA-N
Compound name
5,6-dimethoxy-7-(4-methoxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

394.14163 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 193.3
[M+Na]+ 417.13085 204.7
[M-H]- 393.13435 204.3
[M+NH4]+ 412.17545 206.4
[M+K]+ 433.10479 204.2
[M+H-H2O]+ 377.13889 183.5
[M+HCOO]- 439.13983 211.5
[M+CH3COO]- 453.15548 225.4
[M+Na-2H]- 415.11630 199.2
[M]+ 394.14108 203.4
[M]- 394.14218 203.4
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

No patent data available for this compound.