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 193.0
[M+Na]+ 423.08392 202.8
[M-H]- 399.08742 200.6
[M+NH4]+ 418.12852 206.1
[M+K]+ 439.05786 199.4
[M+H-H2O]+ 383.09196 182.9
[M+HCOO]- 445.09290 207.3
[M+CH3COO]- 459.10855 202.9
[M+Na-2H]- 421.06937 199.8
[M]+ 400.09415 198.0
[M]- 400.09525 198.0
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.