CID 3076446

131041-28-6

Structural Information

Molecular Formula
C19H21N3O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCN
InChI
InChI=1S/C19H21N3O2/c20-9-12-21-10-4-11-22-16-8-3-7-15-17(16)19(24)14-6-2-1-5-13(14)18(15)23/h1-3,5-8,21-22H,4,9-12,20H2
InChIKey
OQFZRZUXMOYHJZ-UHFFFAOYSA-N
Compound name
1-[3-(2-aminoethylamino)propylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 172.6
[M+Na]+ 346.15262 178.8
[M-H]- 322.15612 176.9
[M+NH4]+ 341.19722 187.8
[M+K]+ 362.12656 173.2
[M+H-H2O]+ 306.16066 164.3
[M+HCOO]- 368.16160 195.0
[M+CH3COO]- 382.17725 218.9
[M+Na-2H]- 344.13807 178.7
[M]+ 323.16285 172.0
[M]- 323.16395 172.0
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

No patent data available for this compound.