CID 325224

Nsc293383

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C2=C(C=CC(=C2)OC)C3=C(O1)C=C4C(=C3)C(=O)C=C(O4)C(=O)O)C
InChI
InChI=1S/C20H16O6/c1-20(2)14-6-10(24-3)4-5-11(14)12-7-13-15(21)8-18(19(22)23)25-16(13)9-17(12)26-20/h4-9H,1-3H3,(H,22,23)
InChIKey
PUYCRPFWEHHBNN-UHFFFAOYSA-N
Compound name
3-methoxy-5,5-dimethyl-11-oxoisochromeno[4,3-g]chromene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 178.2
[M+Na]+ 375.08392 189.5
[M-H]- 351.08742 185.7
[M+NH4]+ 370.12852 193.3
[M+K]+ 391.05786 188.5
[M+H-H2O]+ 335.09196 170.1
[M+HCOO]- 397.09290 193.5
[M+CH3COO]- 411.10855 190.1
[M+Na-2H]- 373.06937 185.8
[M]+ 352.09415 185.4
[M]- 352.09525 185.4
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.