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]+ 324.170676 172.6
[M+Na]+ 346.152618 178.8
[M-H]- 322.156124 176.9
[M+NH4]+ 341.197223 187.8
[M+K]+ 362.126558 173.2
[M+H-H2O]+ 306.160660 164.3
[M+HCOO]- 368.161601 195.0
[M+CH3COO]- 382.177251 218.9
[M+Na-2H]- 344.138066 178.7
[M]+ 323.16285142 172.0
[M]- 323.16394858 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.