CID 5322247

10549-64-1

Structural Information

Molecular Formula
C18H23NO3
SMILES
CCCC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O
InChI
InChI=1S/C18H23NO3/c1-2-6-13-11-17(21)22-18-14(13)7-8-16(20)15(18)12-19-9-4-3-5-10-19/h7-8,11,20H,2-6,9-10,12H2,1H3
InChIKey
YXZGUTMEWULFJB-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(piperidin-1-ylmethyl)-4-propylchromen-2-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 171.6
[M+Na]+ 324.157018 178.3
[M-H]- 300.160524 176.6
[M+NH4]+ 319.201623 184.5
[M+K]+ 340.130958 174.5
[M+H-H2O]+ 284.165060 162.8
[M+HCOO]- 346.166001 187.0
[M+CH3COO]- 360.181651 203.2
[M+Na-2H]- 322.142466 175.0
[M]+ 301.16725142 170.9
[M]- 301.16834858 170.9
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.