CID 56842005

26724-10-7

Structural Information

Molecular Formula
C19H14O8
SMILES
CC1=CC2=C(C(OC2=O)O)C3=C1OC(=O)C4=C(O3)C(=C(C=C4C)OC)C=O
InChI
InChI=1S/C19H14O8/c1-7-5-11(24-3)10(6-20)15-12(7)18(22)26-14-8(2)4-9-13(16(14)25-15)19(23)27-17(9)21/h4-6,19,23H,1-3H3
InChIKey
QCXJLIINTHHTBS-UHFFFAOYSA-N
Compound name
17-hydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.06888 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.076156 179.5
[M+Na]+ 393.058098 190.5
[M-H]- 369.061604 189.6
[M+NH4]+ 388.102703 192.3
[M+K]+ 409.032038 194.6
[M+H-H2O]+ 353.066140 176.1
[M+HCOO]- 415.067081 194.8
[M+CH3COO]- 429.082731 220.1
[M+Na-2H]- 391.043546 182.9
[M]+ 370.06833142 186.7
[M]- 370.06942858 186.7
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.