CID 72739

38866-17-0

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
2
Annotation Hits

1
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]+ 325.154676 174.0
[M+Na]+ 347.136618 181.4
[M-H]- 323.140124 179.3
[M+NH4]+ 342.181223 189.9
[M+K]+ 363.110558 177.3
[M+H-H2O]+ 307.144660 166.1
[M+HCOO]- 369.145601 195.1
[M+CH3COO]- 383.161251 218.6
[M+Na-2H]- 345.122066 178.6
[M]+ 324.14685142 176.2
[M]- 324.14794858 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

literature stripe

Patent stripe

patents stripe