CID 49477

Chromone, 7-methoxy-2,3-dimethyl-8-(piperidinomethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)OC)C
InChI
InChI=1S/C18H23NO3/c1-12-13(2)22-18-14(17(12)20)7-8-16(21-3)15(18)11-19-9-5-4-6-10-19/h7-8H,4-6,9-11H2,1-3H3
InChIKey
JYWOKGXAWQLQEP-UHFFFAOYSA-N
Compound name
7-methoxy-2,3-dimethyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.1678 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 171.4
[M+Na]+ 324.157018 179.4
[M-H]- 300.160524 178.2
[M+NH4]+ 319.201623 185.3
[M+K]+ 340.130958 176.5
[M+H-H2O]+ 284.165060 162.5
[M+HCOO]- 346.166001 188.3
[M+CH3COO]- 360.181651 206.8
[M+Na-2H]- 322.142466 174.5
[M]+ 301.16725142 172.9
[M]- 301.16834858 172.9
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.