CID 5361771

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

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)O)C
InChI
InChI=1S/C18H23NO3/c1-3-13-12(2)22-18-14(17(13)21)7-8-16(20)15(18)11-19-9-5-4-6-10-19/h7-8,20H,3-6,9-11H2,1-2H3
InChIKey
XMHXGGFKMOLAKU-UHFFFAOYSA-N
Compound name
3-ethyl-7-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.175076 171.9
[M+Na]+ 324.157018 179.5
[M-H]- 300.160524 177.3
[M+NH4]+ 319.201623 185.1
[M+K]+ 340.130958 175.8
[M+H-H2O]+ 284.165060 163.3
[M+HCOO]- 346.166001 187.3
[M+CH3COO]- 360.181651 204.5
[M+Na-2H]- 322.142466 174.6
[M]+ 301.16725142 171.6
[M]- 301.16834858 171.6
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.