CID 5361757

Chromone, 7-hydroxy-2,3-dimethyl-8-piperidinomethyl-, hydrochloride

Structural Information

Molecular Formula
C17H21NO3
SMILES
CC1=C(OC2=C(C1=O)C=CC(=C2CN3CCCCC3)O)C
InChI
InChI=1S/C17H21NO3/c1-11-12(2)21-17-13(16(11)20)6-7-15(19)14(17)10-18-8-4-3-5-9-18/h6-7,19H,3-5,8-10H2,1-2H3
InChIKey
PWZGLMCHDPPKHS-UHFFFAOYSA-N
Compound name
7-hydroxy-2,3-dimethyl-8-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.15213 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 167.3
[M+Na]+ 310.14135 175.3
[M-H]- 286.14485 172.9
[M+NH4]+ 305.18595 181.0
[M+K]+ 326.11529 171.8
[M+H-H2O]+ 270.14939 158.9
[M+HCOO]- 332.15033 183.0
[M+CH3COO]- 346.16598 201.5
[M+Na-2H]- 308.12680 170.5
[M]+ 287.15158 166.7
[M]- 287.15268 166.7
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.