CID 212515

5410-53-7

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCN(CC)CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C16H21NO3/c1-4-17(5-2)8-9-19-13-6-7-14-12(3)10-16(18)20-15(14)11-13/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKey
AXFDKDUQMWOLKG-UHFFFAOYSA-N
Compound name
7-[2-(diethylamino)ethoxy]-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 163.8
[M+Na]+ 298.14135 171.9
[M-H]- 274.14485 170.5
[M+NH4]+ 293.18595 180.6
[M+K]+ 314.11529 170.9
[M+H-H2O]+ 258.14939 156.2
[M+HCOO]- 320.15033 187.3
[M+CH3COO]- 334.16598 207.0
[M+Na-2H]- 296.12680 169.7
[M]+ 275.15158 170.8
[M]- 275.15268 170.8
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.