CID 103637

52435-87-7

Structural Information

Molecular Formula
C26H18O7
SMILES
CC(=O)OC1(C2=CC=CC3=C2C(=CC=C3)C(=O)O1)C4=CC(=C(C5=CC=CC=C54)O)C(=O)OC
InChI
InChI=1S/C26H18O7/c1-14(27)32-26(20-12-6-8-15-7-5-11-18(22(15)20)25(30)33-26)21-13-19(24(29)31-2)23(28)17-10-4-3-9-16(17)21/h3-13,28H,1-2H3
InChIKey
FLIPGGYCYPKIFD-UHFFFAOYSA-N
Compound name
methyl 4-(2-acetyloxy-4-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)-1-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.10526 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.11254 201.0
[M+Na]+ 465.09448 217.5
[M+NH4]+ 460.13908 209.3
[M+K]+ 481.06842 208.4
[M-H]- 441.09798 206.4
[M+Na-2H]- 463.07993 207.4
[M]+ 442.10471 205.2
[M]- 442.10581 205.2
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.