CID 430240

4-chromanone, 6,7-dimethyl-3-(piperidinomethyl)-, hydrochloride

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1=CC2=C(C=C1C)OCC(C2=O)CN3CCCCC3
InChI
InChI=1S/C17H23NO2/c1-12-8-15-16(9-13(12)2)20-11-14(17(15)19)10-18-6-4-3-5-7-18/h8-9,14H,3-7,10-11H2,1-2H3
InChIKey
NDHYZJYCHGVNMB-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3-(piperidin-1-ylmethyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 165.8
[M+Na]+ 296.16210 179.3
[M+NH4]+ 291.20670 174.7
[M+K]+ 312.13604 171.6
[M-H]- 272.16560 171.6
[M+Na-2H]- 294.14755 170.8
[M]+ 273.17233 169.4
[M]- 273.17343 169.4
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.