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]+ 493.28093 220.5
[M+Na]+ 515.26287 220.5
[M-H]- 491.26637 226.9
[M+NH4]+ 510.30747 221.9
[M+K]+ 531.23681 216.3
[M+H-H2O]+ 475.27091 206.2
[M+HCOO]- 537.27185 228.6
[M+CH3COO]- 551.28750 224.1
[M+Na-2H]- 513.24832 221.2
[M]+ 492.27310 215.7
[M]- 492.27420 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