CID 49459

2,3-diethyl-7-methoxy-8-(piperidinomethyl)chromone hydrochloride

Structural Information

Molecular Formula
C20H27NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)CC
InChI
InChI=1S/C20H27NO3/c1-4-14-17(5-2)24-20-15(19(14)22)9-10-18(23-3)16(20)13-21-11-7-6-8-12-21/h9-10H,4-8,11-13H2,1-3H3
InChIKey
JBKUYVWHMVKSFF-UHFFFAOYSA-N
Compound name
2,3-diethyl-7-methoxy-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

329.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 180.7
[M+Na]+ 352.188318 187.8
[M-H]- 328.191824 187.1
[M+NH4]+ 347.232923 193.4
[M+K]+ 368.162258 184.5
[M+H-H2O]+ 312.196360 171.3
[M+HCOO]- 374.197301 196.9
[M+CH3COO]- 388.212951 212.8
[M+Na-2H]- 350.173766 182.7
[M]+ 329.19855142 182.9
[M]- 329.19964858 182.9
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.