CID 212515

2h-1-benzopyran-2-one, 7-(2-(diethylamino)ethoxy)-4-methyl-

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]+ 276.159406 163.8
[M+Na]+ 298.141348 171.9
[M-H]- 274.144854 170.5
[M+NH4]+ 293.185953 180.6
[M+K]+ 314.115288 170.9
[M+H-H2O]+ 258.149390 156.2
[M+HCOO]- 320.150331 187.3
[M+CH3COO]- 334.165981 207.0
[M+Na-2H]- 296.126796 169.7
[M]+ 275.15158142 170.8
[M]- 275.15267858 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.