CID 37456

36504-66-2

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C6C(O6)C=C5)C=C2
InChI
InChI=1S/C20H12O/c1-2-11-4-5-13-10-14-7-9-16-20(21-16)19(14)15-8-6-12(3-1)17(11)18(13)15/h1-10,16,20H
InChIKey
GOEJUYABKOTLJA-UHFFFAOYSA-N
Compound name
4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),6,9,11,13(21),14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.0888 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.096076 156.5
[M+Na]+ 291.078018 169.1
[M-H]- 267.081524 164.5
[M+NH4]+ 286.122623 172.1
[M+K]+ 307.051958 163.4
[M+H-H2O]+ 251.086060 147.2
[M+HCOO]- 313.087001 173.2
[M+CH3COO]- 327.102651 168.9
[M+Na-2H]- 289.063466 168.8
[M]+ 268.08825142 163.1
[M]- 268.08934858 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.