CID 3085736

72175-36-1

Structural Information

Molecular Formula
C19H18O5
SMILES
COCCOCCOC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H18O5/c1-22-8-9-23-10-11-24-13-6-7-16-17(12-13)19(21)15-5-3-2-4-14(15)18(16)20/h2-7,12H,8-11H2,1H3
InChIKey
PPQCMDJFLCLHOW-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

326.11542 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 172.7
[M+Na]+ 349.10464 181.0
[M-H]- 325.10814 177.9
[M+NH4]+ 344.14924 188.9
[M+K]+ 365.07858 177.5
[M+H-H2O]+ 309.11268 164.6
[M+HCOO]- 371.11362 193.2
[M+CH3COO]- 385.12927 210.4
[M+Na-2H]- 347.09009 178.3
[M]+ 326.11487 179.3
[M]- 326.11597 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

No literature data available for this compound.

Patent stripe

patents stripe