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]+ 302.17508 171.6
[M+Na]+ 324.15702 178.3
[M-H]- 300.16052 176.6
[M+NH4]+ 319.20162 184.5
[M+K]+ 340.13096 174.5
[M+H-H2O]+ 284.16506 162.8
[M+HCOO]- 346.16600 187.0
[M+CH3COO]- 360.18165 203.2
[M+Na-2H]- 322.14247 175.0
[M]+ 301.16725 170.9
[M]- 301.16835 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.