CID 16728046

Chembl389881

Structural Information

Molecular Formula
C14H15NO5
SMILES
C1COCCN1C2=CC=C(C=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C14H15NO5/c16-12(9-13(17)14(18)19)10-1-3-11(4-2-10)15-5-7-20-8-6-15/h1-4H,5-9H2,(H,18,19)
InChIKey
QVJIOWDTBRJABF-UHFFFAOYSA-N
Compound name
4-(4-morpholin-4-ylphenyl)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

277.09503 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.10231 160.6
[M+Na]+ 300.08425 164.3
[M-H]- 276.08775 164.3
[M+NH4]+ 295.12885 172.1
[M+K]+ 316.05819 163.7
[M+H-H2O]+ 260.09229 152.4
[M+HCOO]- 322.09323 175.6
[M+CH3COO]- 336.10888 195.3
[M+Na-2H]- 298.06970 162.1
[M]+ 277.09448 158.3
[M]- 277.09558 158.3
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.