CID 5360358

7-hydroxy-4-methyl-8-(piperidinomethyl)coumarin hydrochloride

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O
InChI
InChI=1S/C16H19NO3/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17/h5-6,9,18H,2-4,7-8,10H2,1H3
InChIKey
DIJMIZCQAHRDQL-UHFFFAOYSA-N
Compound name
7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 162.4
[M+Na]+ 296.12572 170.0
[M-H]- 272.12922 167.8
[M+NH4]+ 291.17032 176.4
[M+K]+ 312.09966 166.6
[M+H-H2O]+ 256.13376 154.0
[M+HCOO]- 318.13470 178.5
[M+CH3COO]- 332.15035 173.5
[M+Na-2H]- 294.11117 166.9
[M]+ 273.13595 161.0
[M]- 273.13705 161.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.