CID 100179

Refchem:1093180

Structural Information

Molecular Formula
C18H12O5
SMILES
C1C2C(C3=C(O1)C=C4C(=C3)C=CO4)OC5=CC6=C(C=C25)OCO6
InChI
InChI=1S/C18H12O5/c1-2-19-13-5-14-11(3-9(1)13)18-12(7-20-14)10-4-16-17(22-8-21-16)6-15(10)23-18/h1-6,12,18H,7-8H2
InChIKey
VZDPNKZCXYBWLM-UHFFFAOYSA-N
Compound name
7,11,17,19,23-pentaoxahexacyclo[11.10.0.02,10.04,8.014,22.016,20]tricosa-2(10),3,5,8,14,16(20),21-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

308.06848 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.075756 157.8
[M+Na]+ 331.057698 169.5
[M-H]- 307.061204 170.2
[M+NH4]+ 326.102303 176.3
[M+K]+ 347.031638 170.6
[M+H-H2O]+ 291.065740 156.9
[M+HCOO]- 353.066681 173.5
[M+CH3COO]- 367.082331 172.1
[M+Na-2H]- 329.043146 163.5
[M]+ 308.06793142 165.8
[M]- 308.06902858 165.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe