CID 205569

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

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C(=O)C=C2)O
InChI
InChI=1S/C14H18N2O3/c17-12-6-4-11(5-7-13(12)18)15-14(19)10-16-8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,15,19)(H,17,18)
InChIKey
MIBQQMDEOKNXSM-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 157.9
[M+Na]+ 285.120958 160.6
[M-H]- 261.124464 162.3
[M+NH4]+ 280.165563 170.8
[M+K]+ 301.094898 162.7
[M+H-H2O]+ 245.129000 150.1
[M+HCOO]- 307.129941 175.6
[M+CH3COO]- 321.145591 196.1
[M+Na-2H]- 283.106406 160.1
[M]+ 262.13119142 150.7
[M]- 262.13228858 150.7
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.