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 197.9
[M+Na]+ 415.23159 197.3
[M-H]- 391.23509 203.2
[M+NH4]+ 410.27619 201.8
[M+K]+ 431.20553 195.3
[M+H-H2O]+ 375.23963 185.6
[M+HCOO]- 437.24057 209.9
[M+CH3COO]- 451.25622 225.1
[M+Na-2H]- 413.21704 198.4
[M]+ 392.24182 192.7
[M]- 392.24292 192.7
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

No patent data available for this compound.