CID 3040635

Brn 1164034

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)CN4CCOCC4
InChI
InChI=1S/C20H19NO4/c1-24-17-7-6-15-18(16(17)12-21-8-10-25-11-9-21)20(23)14-5-3-2-4-13(14)19(15)22/h2-7H,8-12H2,1H3
InChIKey
MRBKLGXBDJIPBI-UHFFFAOYSA-N
Compound name
2-methoxy-1-(morpholin-4-ylmethyl)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.2
[M+Na]+ 360.12062 185.5
[M-H]- 336.12412 185.2
[M+NH4]+ 355.16522 190.7
[M+K]+ 376.09456 181.9
[M+H-H2O]+ 320.12866 168.1
[M+HCOO]- 382.12960 192.8
[M+CH3COO]- 396.14525 188.2
[M+Na-2H]- 358.10607 182.2
[M]+ 337.13085 178.1
[M]- 337.13195 178.1
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.