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]+ 288.159406 167.0
[M+Na]+ 310.141348 174.1
[M-H]- 286.144854 172.2
[M+NH4]+ 305.185953 180.5
[M+K]+ 326.115288 170.5
[M+H-H2O]+ 270.149390 158.4
[M+HCOO]- 332.150331 182.8
[M+CH3COO]- 346.165981 200.2
[M+Na-2H]- 308.126796 170.9
[M]+ 287.15158142 166.0
[M]- 287.15267858 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.