CID 40503

Brn 2161887

Structural Information

Molecular Formula
C20H21NO3
SMILES
CCN(CC)CC1=C(C=CC2=C1C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C20H21NO3/c1-4-21(5-2)12-16-17(24-3)11-10-15-18(16)20(23)14-9-7-6-8-13(14)19(15)22/h6-11H,4-5,12H2,1-3H3
InChIKey
CXQKSBSEKCQTQG-UHFFFAOYSA-N
Compound name
1-(diethylaminomethyl)-2-methoxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.15213 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.15941 175.5
[M+Na]+ 346.14135 189.7
[M+NH4]+ 341.18595 184.0
[M+K]+ 362.11529 181.4
[M-H]- 322.14485 179.6
[M+Na-2H]- 344.12680 180.9
[M]+ 323.15158 178.8
[M]- 323.15268 178.8
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.