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]+ 276.15941 164.7
[M+Na]+ 298.14135 178.3
[M+NH4]+ 293.18595 173.0
[M+K]+ 314.11529 171.6
[M-H]- 274.14485 171.3
[M+Na-2H]- 296.12680 169.0
[M]+ 275.15158 168.6
[M]- 275.15268 168.6
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.