CID 105567

1,4-bis((3-hydroxypropyl)amino)anthraquinone

Structural Information

Molecular Formula
C20H22N2O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCO)NCCCO
InChI
InChI=1S/C20H22N2O4/c23-11-3-9-21-15-7-8-16(22-10-4-12-24)18-17(15)19(25)13-5-1-2-6-14(13)20(18)26/h1-2,5-8,21-24H,3-4,9-12H2
InChIKey
LUYYUZYWBTWOFO-UHFFFAOYSA-N
Compound name
1,4-bis(3-hydroxypropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

80
Patents

354.15796 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 183.4
[M+Na]+ 377.14718 194.5
[M+NH4]+ 372.19178 189.7
[M+K]+ 393.12112 187.2
[M-H]- 353.15068 185.9
[M+Na-2H]- 375.13263 186.4
[M]+ 354.15741 185.4
[M]- 354.15851 185.4
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

patents stripe