CID 13885696

12a-hydroxydolineone

Structural Information

Molecular Formula
C19H12O7
SMILES
C1C2C(C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C=C6C(=C5)C=CO6)O
InChI
InChI=1S/C19H12O7/c20-18-10-3-9-1-2-22-12(9)5-13(10)26-17-7-23-14-6-16-15(24-8-25-16)4-11(14)19(17,18)21/h1-6,17,21H,7-8H2
InChIKey
HLEAVDSSZUIWQI-UHFFFAOYSA-N
Compound name
1-hydroxy-5,7,11,14,18-pentaoxahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15(23),16,19,21-heptaen-24-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

352.0583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.06558 174.2
[M+Na]+ 375.04752 188.9
[M+NH4]+ 370.09212 184.4
[M+K]+ 391.02146 185.8
[M-H]- 351.05102 183.3
[M+Na-2H]- 373.03297 174.4
[M]+ 352.05775 179.3
[M]- 352.05885 179.3
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

patents stripe