CID 15629705

Ns00116682

Structural Information

Molecular Formula
C22H14O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C6C(O6)C=C5
InChI
InChI=1S/C22H14O/c1-2-4-17-13(3-1)5-7-15-12-19-16(11-18(15)17)8-6-14-9-10-20-22(23-20)21(14)19/h1-12,20,22H
InChIKey
KRMRQHCFOIRUMJ-UHFFFAOYSA-N
Compound name
17-oxahexacyclo[12.9.0.03,12.04,9.015,21.016,18]tricosa-1,3(12),4,6,8,10,13,15(21),19,22-decaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.10446 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.111736 164.4
[M+Na]+ 317.093678 177.3
[M-H]- 293.097184 173.6
[M+NH4]+ 312.138283 178.5
[M+K]+ 333.067618 171.2
[M+H-H2O]+ 277.101720 155.0
[M+HCOO]- 339.102661 181.8
[M+CH3COO]- 353.118311 176.4
[M+Na-2H]- 315.079126 175.8
[M]+ 294.10391142 169.4
[M]- 294.10500858 169.4
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.