CID 72739

75199-24-5

Structural Information

Molecular Formula
C19H20N2O3
SMILES
CN(C)CCCNC1=C2C(=C(C=C1)O)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H20N2O3/c1-21(2)11-5-10-20-14-8-9-15(22)17-16(14)18(23)12-6-3-4-7-13(12)19(17)24/h3-4,6-9,20,22H,5,10-11H2,1-2H3
InChIKey
JZTAIFJWWKIHKJ-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propylamino]-4-hydroxyanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.1474 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 174.0
[M+Na]+ 347.13662 181.4
[M-H]- 323.14012 179.3
[M+NH4]+ 342.18122 189.9
[M+K]+ 363.11056 177.3
[M+H-H2O]+ 307.14466 166.1
[M+HCOO]- 369.14560 195.1
[M+CH3COO]- 383.16125 218.6
[M+Na-2H]- 345.12207 178.6
[M]+ 324.14685 176.2
[M]- 324.14795 176.2
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