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]+ 274.180156 165.8
[M+Na]+ 296.162098 171.4
[M-H]- 272.165604 171.6
[M+NH4]+ 291.206703 180.4
[M+K]+ 312.136038 168.4
[M+H-H2O]+ 256.170140 157.1
[M+HCOO]- 318.171081 180.0
[M+CH3COO]- 332.186731 201.1
[M+Na-2H]- 294.147546 168.1
[M]+ 273.17233142 162.2
[M]- 273.17342858 162.2
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.