CID 3066340

2,5-bis((3-morpholinopropyl)amino)-p-benzoquinone

Structural Information

Molecular Formula
C20H32N4O4
SMILES
C1COCCN1CCCNC2=CC(=O)C(=CC2=O)NCCCN3CCOCC3
InChI
InChI=1S/C20H32N4O4/c25-19-16-18(22-4-2-6-24-9-13-28-14-10-24)20(26)15-17(19)21-3-1-5-23-7-11-27-12-8-23/h15-16,21-22H,1-14H2
InChIKey
JLWBELVGHBYDJT-UHFFFAOYSA-N
Compound name
2,5-bis(3-morpholin-4-ylpropylamino)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.24237 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.24965 199.2
[M+Na]+ 415.23159 207.2
[M+NH4]+ 410.27619 203.6
[M+K]+ 431.20553 201.5
[M-H]- 391.23509 205.5
[M+Na-2H]- 413.21704 201.6
[M]+ 392.24182 201.5
[M]- 392.24292 201.5
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

No patent data available for this compound.