CID 386271

166895-45-0

Structural Information

Molecular Formula
C28H36N4O4
SMILES
C1COCCN1CCCNC2=C3C(=C(C=C2)NCCCN4CCOCC4)C(=O)C5=CC=CC=C5C3=O
InChI
InChI=1S/C28H36N4O4/c33-27-21-5-1-2-6-22(21)28(34)26-24(30-10-4-12-32-15-19-36-20-16-32)8-7-23(25(26)27)29-9-3-11-31-13-17-35-18-14-31/h1-2,5-8,29-30H,3-4,9-20H2
InChIKey
LZQHTOSKYAEQBZ-UHFFFAOYSA-N
Compound name
1,4-bis(3-morpholin-4-ylpropylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

492.27365 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.280926 220.5
[M+Na]+ 515.262868 220.5
[M-H]- 491.266374 226.9
[M+NH4]+ 510.307473 221.9
[M+K]+ 531.236808 216.3
[M+H-H2O]+ 475.270910 206.2
[M+HCOO]- 537.271851 228.6
[M+CH3COO]- 551.287501 224.1
[M+Na-2H]- 513.248316 221.2
[M]+ 492.27310142 215.7
[M]- 492.27419858 215.7
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