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]+ 279.133926 165.0
[M+Na]+ 301.115868 169.0
[M-H]- 277.119374 171.8
[M+NH4]+ 296.160473 174.5
[M+K]+ 317.089808 168.4
[M+H-H2O]+ 261.123910 154.7
[M+HCOO]- 323.124851 177.1
[M+CH3COO]- 337.140501 174.4
[M+Na-2H]- 299.101316 167.4
[M]+ 278.12610142 159.1
[M]- 278.12719858 159.1
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

patents stripe