CID 496248

Nsc683332

Structural Information

Molecular Formula
C24H14O7
SMILES
C1=CC=C2C(=C1)C(=O)C34C(C5C(O5)C6(C3(C2=O)O4)OC7=CC=CC8=C7C(=CC=C8)O6)O
InChI
InChI=1S/C24H14O7/c25-18-12-7-1-2-8-13(12)19(26)23-22(18,31-23)20(27)17-21(28-17)24(23)29-14-9-3-5-11-6-4-10-15(30-24)16(11)14/h1-10,17,20-21,27H
InChIKey
DPEPLNNDWXFYPW-UHFFFAOYSA-N
Compound name
15-hydroxyspiro[13,16-dioxapentacyclo[8.5.1.01,10.03,8.012,14]hexadeca-3,5,7-triene-11,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.07394 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.08122 192.7
[M+Na]+ 437.06316 203.0
[M-H]- 413.06666 203.6
[M+NH4]+ 432.10776 196.9
[M+K]+ 453.03710 208.0
[M+H-H2O]+ 397.07120 182.5
[M+HCOO]- 459.07214 194.2
[M+CH3COO]- 473.08779 199.9
[M+Na-2H]- 435.04861 199.8
[M]+ 414.07339 201.5
[M]- 414.07449 201.5
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.