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]+ 263.13902 157.9
[M+Na]+ 285.12096 160.6
[M-H]- 261.12446 162.3
[M+NH4]+ 280.16556 170.8
[M+K]+ 301.09490 162.7
[M+H-H2O]+ 245.12900 150.1
[M+HCOO]- 307.12994 175.6
[M+CH3COO]- 321.14559 196.1
[M+Na-2H]- 283.10641 160.1
[M]+ 262.13119 150.7
[M]- 262.13229 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.