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

literature stripe

Patent stripe

patents stripe