CID 5228720

1-(3-methoxyphenoxy)anthraquinone

Structural Information

Molecular Formula
C21H14O4
SMILES
COC1=CC(=CC=C1)OC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C21H14O4/c1-24-13-6-4-7-14(12-13)25-18-11-5-10-17-19(18)21(23)16-9-3-2-8-15(16)20(17)22/h2-12H,1H3
InChIKey
IRCISKWSDVQUDB-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenoxy)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.0892 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.09648 174.7
[M+Na]+ 353.07842 184.3
[M-H]- 329.08192 183.6
[M+NH4]+ 348.12302 190.3
[M+K]+ 369.05236 179.4
[M+H-H2O]+ 313.08646 165.3
[M+HCOO]- 375.08740 195.4
[M+CH3COO]- 389.10305 186.5
[M+Na-2H]- 351.06387 180.5
[M]+ 330.08865 178.0
[M]- 330.08975 178.0
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.