CID 390045

Nsc686959

Structural Information

Molecular Formula
C22H20O5
SMILES
CCOC1=C2CCC(=CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4OC)OC
InChI
InChI=1S/C22H20O5/c1-4-27-22-14-9-8-13(25-2)10-12(14)11-16-19(22)21(24)18-15(20(16)23)6-5-7-17(18)26-3/h5-7,10-11H,4,8-9H2,1-3H3
InChIKey
RUKYMOQMFYYFKY-UHFFFAOYSA-N
Compound name
6-ethoxy-4,9-dimethoxy-7,8-dihydrotetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13107 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13835 183.3
[M+Na]+ 387.12029 192.8
[M-H]- 363.12379 189.7
[M+NH4]+ 382.16489 199.2
[M+K]+ 403.09423 188.7
[M+H-H2O]+ 347.12833 174.5
[M+HCOO]- 409.12927 200.5
[M+CH3COO]- 423.14492 221.6
[M+Na-2H]- 385.10574 187.2
[M]+ 364.13052 189.1
[M]- 364.13162 189.1
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.