CID 3076423

((2-((2-(anthraquinon-1-ylamino)ethyl)amino)ethyl)amine-n,n')dichloroplatinum(ii)

Structural Information

Molecular Formula
C18H19N3O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NCCNCCN
InChI
InChI=1S/C18H19N3O2/c19-8-9-20-10-11-21-15-7-3-6-14-16(15)18(23)13-5-2-1-4-12(13)17(14)22/h1-7,20-21H,8-11,19H2
InChIKey
SGQLFRJMNZRWGF-UHFFFAOYSA-N
Compound name
1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

309.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.155016 168.1
[M+Na]+ 332.136958 174.8
[M-H]- 308.140464 172.7
[M+NH4]+ 327.181563 184.0
[M+K]+ 348.110898 169.4
[M+H-H2O]+ 292.145000 160.1
[M+HCOO]- 354.145941 190.9
[M+CH3COO]- 368.161591 215.9
[M+Na-2H]- 330.122406 174.7
[M]+ 309.14719142 167.2
[M]- 309.14828858 167.2
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