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 175.1
[M+Na]+ 346.14135 183.4
[M-H]- 322.14485 181.8
[M+NH4]+ 341.18595 192.2
[M+K]+ 362.11529 179.8
[M+H-H2O]+ 306.14939 167.0
[M+HCOO]- 368.15033 196.4
[M+CH3COO]- 382.16598 218.7
[M+Na-2H]- 344.12680 179.0
[M]+ 323.15158 180.1
[M]- 323.15268 180.1
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

patents stripe