CID 57979229

Dtxsid801019616

Structural Information

Molecular Formula
C28H38N2O8
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCOCCOCCO)NCCCOCCOCCO
InChI
InChI=1S/C28H38N2O8/c31-11-15-37-19-17-35-13-3-9-29-23-7-8-24(30-10-4-14-36-18-20-38-16-12-32)26-25(23)27(33)21-5-1-2-6-22(21)28(26)34/h1-2,5-8,29-32H,3-4,9-20H2
InChIKey
FRFQXYOWMSJIJR-UHFFFAOYSA-N
Compound name
1,4-bis[3-[2-(2-hydroxyethoxy)ethoxy]propylamino]anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

530.2628 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.27008 221.3
[M+Na]+ 553.25202 222.2
[M-H]- 529.25552 221.5
[M+NH4]+ 548.29662 226.3
[M+K]+ 569.22596 218.7
[M+H-H2O]+ 513.26006 210.6
[M+HCOO]- 575.26100 237.7
[M+CH3COO]- 589.27665 250.8
[M+Na-2H]- 551.23747 223.3
[M]+ 530.26225 230.4
[M]- 530.26335 230.4
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