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 156.8
[M+Na]+ 287.10022 159.8
[M-H]- 263.10372 161.9
[M+NH4]+ 282.14482 168.3
[M+K]+ 303.07416 163.6
[M+H-H2O]+ 247.10826 148.7
[M+HCOO]- 309.10920 174.1
[M+CH3COO]- 323.12485 195.5
[M+Na-2H]- 285.08567 160.3
[M]+ 264.11045 151.2
[M]- 264.11155 151.2
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.