CID 16205903

9,10-anthracenedione, 1-[(3-methoxypropyl)amino]-4-(methylamino)-

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CNC1=C2C(=C(C=C1)NCCCOC)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O3/c1-20-14-8-9-15(21-10-5-11-24-2)17-16(14)18(22)12-6-3-4-7-13(12)19(17)23/h3-4,6-9,20-21H,5,10-11H2,1-2H3
InChIKey
IUEBRWKNLMXYOE-UHFFFAOYSA-N
Compound name
1-(3-methoxypropylamino)-4-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.154676 173.5
[M+Na]+ 347.136618 181.2
[M-H]- 323.140124 178.8
[M+NH4]+ 342.181223 189.5
[M+K]+ 363.110558 176.6
[M+H-H2O]+ 307.144660 165.4
[M+HCOO]- 369.145601 195.6
[M+CH3COO]- 383.161251 217.6
[M+Na-2H]- 345.122066 179.3
[M]+ 324.14685142 176.3
[M]- 324.14794858 176.3
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.