CID 203944

4-morpholineacetamide, n-(7-oxo-1,3,5-cycloheptatrien-1-yl)-, monohydrochloride

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1COCCN1CC(=O)NC2=CC=CC=CC2=O
InChI
InChI=1S/C13H16N2O3/c16-12-5-3-1-2-4-11(12)14-13(17)10-15-6-8-18-9-7-15/h1-5H,6-10H2,(H,14,16,17)
InChIKey
QUWDXVCXMNOZSL-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-(7-oxocyclohepta-1,3,5-trien-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 153.3
[M+Na]+ 271.10531 156.1
[M-H]- 247.10881 159.4
[M+NH4]+ 266.14991 165.9
[M+K]+ 287.07925 159.7
[M+H-H2O]+ 231.11335 145.2
[M+HCOO]- 293.11429 171.9
[M+CH3COO]- 307.12994 194.6
[M+Na-2H]- 269.09076 157.9
[M]+ 248.11554 147.8
[M]- 248.11664 147.8
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.