CID 44257421

Dehydrodolineone

Structural Information

Molecular Formula
C19H10O6
SMILES
C1C2=C(C3=CC4=C(C=C3O1)OCO4)C(=O)C5=C(O2)C=C6C(=C5)C=CO6
InChI
InChI=1S/C19H10O6/c20-19-11-3-9-1-2-21-12(9)5-14(11)25-17-7-22-13-6-16-15(23-8-24-16)4-10(13)18(17)19/h1-6H,7-8H2
InChIKey
PAFJAGXRIBRIIB-UHFFFAOYSA-N
Compound name
5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-1(13),2,4(8),9,15(23),16,19,21-octaen-24-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.04773 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.05501 165.0
[M+Na]+ 357.03695 178.2
[M-H]- 333.04045 177.8
[M+NH4]+ 352.08155 180.6
[M+K]+ 373.01089 179.3
[M+H-H2O]+ 317.04499 161.1
[M+HCOO]- 379.04593 180.9
[M+CH3COO]- 393.06158 179.1
[M+Na-2H]- 355.02240 173.3
[M]+ 334.04718 174.7
[M]- 334.04828 174.7
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

No patent data available for this compound.