CID 27706

2,3-dimethyl-6-piperidinomethyl-chromone hydrochloride

Structural Information

Molecular Formula
C17H21NO2
SMILES
CC1=C(OC2=C(C1=O)C=C(C=C2)CN3CCCCC3)C
InChI
InChI=1S/C17H21NO2/c1-12-13(2)20-16-7-6-14(10-15(16)17(12)19)11-18-8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKey
JNLKAAADNKSWKA-UHFFFAOYSA-N
Compound name
2,3-dimethyl-6-(piperidin-1-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.164506 163.5
[M+Na]+ 294.146448 171.2
[M-H]- 270.149954 170.0
[M+NH4]+ 289.191053 178.4
[M+K]+ 310.120388 167.8
[M+H-H2O]+ 254.154490 154.8
[M+HCOO]- 316.155431 180.6
[M+CH3COO]- 330.171081 174.9
[M+Na-2H]- 292.131896 167.7
[M]+ 271.15668142 162.8
[M]- 271.15777858 162.8
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.