CID 205567

4-morpholineacetamide, n-(4-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2O4
SMILES
C1COCCN1CC(=O)NC2=CC=C(C(=O)C=C2)O
InChI
InChI=1S/C13H16N2O4/c16-11-3-1-10(2-4-12(11)17)14-13(18)9-15-5-7-19-8-6-15/h1-4H,5-9H2,(H,14,18)(H,16,17)
InChIKey
YSHANELAQONFHY-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.111 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 161.2
[M+Na]+ 287.10022 169.3
[M+NH4]+ 282.14482 166.2
[M+K]+ 303.07416 166.5
[M-H]- 263.10372 163.7
[M+Na-2H]- 285.08567 165.3
[M]+ 264.11045 162.7
[M]- 264.11155 162.7
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.