CID 233570

2,5-dimorpholino-1,4-benzoquinone

Structural Information

Molecular Formula
C14H18N2O4
SMILES
C1COCCN1C2=CC(=O)C(=CC2=O)N3CCOCC3
InChI
InChI=1S/C14H18N2O4/c17-13-10-12(16-3-7-20-8-4-16)14(18)9-11(13)15-1-5-19-6-2-15/h9-10H,1-8H2
InChIKey
FJPSGZKIIRMZHZ-UHFFFAOYSA-N
Compound name
2,5-dimorpholin-4-ylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.9
[M+Na]+ 301.11587 176.8
[M+NH4]+ 296.16047 171.5
[M+K]+ 317.08981 171.7
[M-H]- 277.11937 171.1
[M+Na-2H]- 299.10132 169.6
[M]+ 278.12610 168.1
[M]- 278.12720 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.