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

0
Patents

329.1991 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.7
[M+Na]+ 352.18832 187.8
[M-H]- 328.19182 187.1
[M+NH4]+ 347.23292 193.4
[M+K]+ 368.16226 184.5
[M+H-H2O]+ 312.19636 171.3
[M+HCOO]- 374.19730 196.9
[M+CH3COO]- 388.21295 212.8
[M+Na-2H]- 350.17377 182.7
[M]+ 329.19855 182.9
[M]- 329.19965 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.