CID 49499

67195-86-2

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCC1=C(OC2=C(C1=O)C=CC(=C2CN3CCOCC3)OC)C
InChI
InChI=1S/C18H23NO4/c1-4-13-12(2)23-18-14(17(13)20)5-6-16(21-3)15(18)11-19-7-9-22-10-8-19/h5-6H,4,7-11H2,1-3H3
InChIKey
KWIODLHHFFBUSG-UHFFFAOYSA-N
Compound name
3-ethyl-7-methoxy-2-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.16272 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 175.8
[M+Na]+ 340.151938 183.9
[M-H]- 316.155444 183.3
[M+NH4]+ 335.196543 187.6
[M+K]+ 356.125878 182.6
[M+H-H2O]+ 300.159980 166.7
[M+HCOO]- 362.160921 191.9
[M+CH3COO]- 376.176571 209.3
[M+Na-2H]- 338.137386 179.5
[M]+ 317.16217142 179.4
[M]- 317.16326858 179.4
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.