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
1
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]+ 295.11174 164.4
[M+Na]+ 317.09368 177.3
[M-H]- 293.09718 173.6
[M+NH4]+ 312.13828 178.5
[M+K]+ 333.06762 171.2
[M+H-H2O]+ 277.10172 155.0
[M+HCOO]- 339.10266 181.8
[M+CH3COO]- 353.11831 176.4
[M+Na-2H]- 315.07913 175.8
[M]+ 294.10391 169.4
[M]- 294.10501 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.