CID 458939

1-amino-4-hydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C18H19N3O5
SMILES
C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)NCCO)NCCO)O
InChI
InChI=1S/C18H19N3O5/c19-9-1-4-12(24)16-13(9)17(25)14-10(20-5-7-22)2-3-11(21-6-8-23)15(14)18(16)26/h1-4,20-24H,5-8,19H2
InChIKey
BAWNUNMTUGKAAJ-UHFFFAOYSA-N
Compound name
1-amino-4-hydroxy-5,8-bis(2-hydroxyethylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13248 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.13976 178.0
[M+Na]+ 380.12170 185.3
[M-H]- 356.12520 179.5
[M+NH4]+ 375.16630 190.3
[M+K]+ 396.09564 180.5
[M+H-H2O]+ 340.12974 170.8
[M+HCOO]- 402.13068 196.5
[M+CH3COO]- 416.14633 221.1
[M+Na-2H]- 378.10715 181.7
[M]+ 357.13193 177.4
[M]- 357.13303 177.4
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

No patent data available for this compound.