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]+ 297.12740 164.8
[M+Na]+ 319.10934 176.7
[M-H]- 295.11284 173.5
[M+NH4]+ 314.15394 178.7
[M+K]+ 335.08328 170.7
[M+H-H2O]+ 279.11738 155.2
[M+HCOO]- 341.11832 180.8
[M+CH3COO]- 355.13397 176.3
[M+Na-2H]- 317.09479 175.2
[M]+ 296.11957 168.4
[M]- 296.12067 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.