CID 5317189

Erosnin

Structural Information

Molecular Formula
C18H8O6
SMILES
C1OC2=C(O1)C=C3C(=C2)C4=C(O3)C5=C(C=C6C(=C5)C=CO6)OC4=O
InChI
InChI=1S/C18H8O6/c19-18-16-9-4-14-15(22-7-21-14)6-12(9)23-17(16)10-3-8-1-2-20-11(8)5-13(10)24-18/h1-6H,7H2
InChIKey
YQXNKHVPEJJBTJ-UHFFFAOYSA-N
Compound name
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-1(13),2(10),3,5,8,14,16(20),21-octaen-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

320.03207 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03935 160.7
[M+Na]+ 343.02129 179.1
[M+NH4]+ 338.06589 170.7
[M+K]+ 358.99523 178.8
[M-H]- 319.02479 171.0
[M+Na-2H]- 341.00674 163.3
[M]+ 320.03152 166.9
[M]- 320.03262 166.9
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.