CID 170718

43000-19-7

Structural Information

Molecular Formula
C24H16O6
SMILES
COC(=O)C1=C(C2=CC=CC=C2C(=C1)C3(C4=CC=CC5=C4C(=CC=C5)C(=O)O3)O)O
InChI
InChI=1S/C24H16O6/c1-29-22(26)17-12-19(14-8-2-3-9-15(14)21(17)25)24(28)18-11-5-7-13-6-4-10-16(20(13)18)23(27)30-24/h2-12,25,28H,1H3
InChIKey
QJYUGFCUWYOCDJ-UHFFFAOYSA-N
Compound name
methyl 1-hydroxy-4-(2-hydroxy-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.0947 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.10198 191.7
[M+Na]+ 423.08392 208.9
[M+NH4]+ 418.12852 200.9
[M+K]+ 439.05786 199.3
[M-H]- 399.08742 197.6
[M+Na-2H]- 421.06937 198.7
[M]+ 400.09415 196.3
[M]- 400.09525 196.3
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.