CID 361514

Nsc624614

Structural Information

Molecular Formula
C18H16O5
SMILES
COC1=CC2(CCC1C3=C2C(=O)C4=C(C3=O)C=CC=C4O)OC
InChI
InChI=1S/C18H16O5/c1-22-12-8-18(23-2)7-6-9(12)14-15(18)17(21)13-10(16(14)20)4-3-5-11(13)19/h3-5,8-9,19H,6-7H2,1-2H3
InChIKey
WYVBREUZQXOXOK-UHFFFAOYSA-N
Compound name
5-hydroxy-1,13-dimethoxytetracyclo[10.2.2.02,11.04,9]hexadeca-2(11),4(9),5,7,13-pentaene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09976 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10704 167.1
[M+Na]+ 335.08898 174.6
[M-H]- 311.09248 167.0
[M+NH4]+ 330.13358 188.6
[M+K]+ 351.06292 171.1
[M+H-H2O]+ 295.09702 159.6
[M+HCOO]- 357.09796 176.8
[M+CH3COO]- 371.11361 177.0
[M+Na-2H]- 333.07443 176.9
[M]+ 312.09921 173.2
[M]- 312.10031 173.2
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.