CID 5360446

Brn 0573638

Structural Information

Molecular Formula
C20H20N2O3
SMILES
C1CCN(CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CN=CC=C4)O
InChI
InChI=1S/C20H20N2O3/c23-18-7-6-15-16(14-5-4-8-21-12-14)11-19(24)25-20(15)17(18)13-22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2
InChIKey
LZKXMLUODBKQDD-UHFFFAOYSA-N
Compound name
7-hydroxy-8-(piperidin-1-ylmethyl)-4-pyridin-3-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 180.4
[M+Na]+ 359.136618 187.2
[M-H]- 335.140124 187.0
[M+NH4]+ 354.181223 189.5
[M+K]+ 375.110558 182.2
[M+H-H2O]+ 319.144660 169.0
[M+HCOO]- 381.145601 194.8
[M+CH3COO]- 395.161251 189.5
[M+Na-2H]- 357.122066 184.6
[M]+ 336.14685142 177.9
[M]- 336.14794858 177.9
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.