CID 154699726

Ns00117465

Structural Information

Molecular Formula
C22H16O
SMILES
C1CC2=C(C=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C=CC6C5O6
InChI
InChI=1S/C22H16O/c1-2-4-16-13(3-1)5-6-14-12-20-15(11-19(14)16)7-8-18-17(20)9-10-21-22(18)23-21/h1,3,5-12,21-22H,2,4H2
InChIKey
JXNLSXIURKVPSX-UHFFFAOYSA-N
Compound name
19-oxahexacyclo[12.9.0.03,12.04,9.015,21.018,20]tricosa-1,3(12),4(9),7,10,13,15(21),16,22-nonaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

296.12012 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.127396 164.8
[M+Na]+ 319.109338 176.7
[M-H]- 295.112844 173.5
[M+NH4]+ 314.153943 178.7
[M+K]+ 335.083278 170.7
[M+H-H2O]+ 279.117380 155.2
[M+HCOO]- 341.118321 180.8
[M+CH3COO]- 355.133971 176.3
[M+Na-2H]- 317.094786 175.2
[M]+ 296.11957142 168.4
[M]- 296.12066858 168.4
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.