CID 49495

2-ethyl-7-hydroxy-8-piperidinomethylchromone hydrochloride

Structural Information

Molecular Formula
C17H21NO3
SMILES
CCC1=CC(=O)C2=C(O1)C(=C(C=C2)O)CN3CCCCC3
InChI
InChI=1S/C17H21NO3/c1-2-12-10-16(20)13-6-7-15(19)14(17(13)21-12)11-18-8-4-3-5-9-18/h6-7,10,19H,2-5,8-9,11H2,1H3
InChIKey
YRCKOTMBYHQMKR-UHFFFAOYSA-N
Compound name
2-ethyl-7-hydroxy-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.0
[M+Na]+ 310.14135 174.1
[M-H]- 286.14485 172.2
[M+NH4]+ 305.18595 180.5
[M+K]+ 326.11529 170.5
[M+H-H2O]+ 270.14939 158.4
[M+HCOO]- 332.15033 182.8
[M+CH3COO]- 346.16598 200.2
[M+Na-2H]- 308.12680 170.9
[M]+ 287.15158 166.0
[M]- 287.15268 166.0
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.