CID 13522515

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

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC1=CC2=C(C=C1C)OCC(C2=O)CN3CCOCC3
InChI
InChI=1S/C16H21NO3/c1-11-7-14-15(8-12(11)2)20-10-13(16(14)18)9-17-3-5-19-6-4-17/h7-8,13H,3-6,9-10H2,1-2H3
InChIKey
KYSNIXSQIUCAOM-UHFFFAOYSA-N
Compound name
6,7-dimethyl-3-(morpholin-4-ylmethyl)-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.3
[M+Na]+ 298.141348 171.4
[M-H]- 274.144854 171.9
[M+NH4]+ 293.185953 178.5
[M+K]+ 314.115288 170.2
[M+H-H2O]+ 258.149390 156.7
[M+HCOO]- 320.150331 179.1
[M+CH3COO]- 334.165981 200.5
[M+Na-2H]- 296.126796 168.8
[M]+ 275.15158142 163.5
[M]- 275.15267858 163.5
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.