CID 16205903

93964-11-5

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
1
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]+ 325.15468 175.7
[M+Na]+ 347.13662 188.6
[M+NH4]+ 342.18122 183.5
[M+K]+ 363.11056 180.3
[M-H]- 323.14012 179.7
[M+Na-2H]- 345.12207 180.6
[M]+ 324.14685 178.5
[M]- 324.14795 178.5
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.