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]+ 338.138676 178.2
[M+Na]+ 360.120618 185.5
[M-H]- 336.124124 185.2
[M+NH4]+ 355.165223 190.7
[M+K]+ 376.094558 181.9
[M+H-H2O]+ 320.128660 168.1
[M+HCOO]- 382.129601 192.8
[M+CH3COO]- 396.145251 188.2
[M+Na-2H]- 358.106066 182.2
[M]+ 337.13085142 178.1
[M]- 337.13194858 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.