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
3
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 159.8
[M+Na]+ 343.02129 176.1
[M-H]- 319.02479 174.4
[M+NH4]+ 338.06589 178.3
[M+K]+ 358.99523 177.5
[M+H-H2O]+ 303.02933 159.1
[M+HCOO]- 365.03027 181.1
[M+CH3COO]- 379.04592 176.2
[M+Na-2H]- 341.00674 168.3
[M]+ 320.03152 174.4
[M]- 320.03262 174.4
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.