CID 72743

65271-79-6

Structural Information

Molecular Formula
C24H32N4O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCNCCO)NCCCNCCO
InChI
InChI=1S/C24H32N4O4/c29-15-13-25-9-3-11-27-19-7-8-20(28-12-4-10-26-14-16-30)22-21(19)23(31)17-5-1-2-6-18(17)24(22)32/h1-2,5-8,25-30H,3-4,9-16H2
InChIKey
SIDWSIHMDVGHMD-UHFFFAOYSA-N
Compound name
1,4-bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

440.24237 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.24965 199.0
[M+Na]+ 463.23159 201.4
[M-H]- 439.23509 200.2
[M+NH4]+ 458.27619 207.8
[M+K]+ 479.20553 195.8
[M+H-H2O]+ 423.23963 189.7
[M+HCOO]- 485.24057 218.4
[M+CH3COO]- 499.25622 241.4
[M+Na-2H]- 461.21704 203.4
[M]+ 440.24182 200.0
[M]- 440.24292 200.0
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

patents stripe