CID 49497

67195-85-1

Structural Information

Molecular Formula
C18H23NO4
SMILES
CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)OC)CN3CCOCC3)C
InChI
InChI=1S/C18H23NO4/c1-4-15-12(2)17(20)13-5-6-16(21-3)14(18(13)23-15)11-19-7-9-22-10-8-19/h5-6H,4,7-11H2,1-3H3
InChIKey
KRSGUVUXOCCAQP-UHFFFAOYSA-N
Compound name
2-ethyl-7-methoxy-3-methyl-8-(morpholin-4-ylmethyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17000 174.4
[M+Na]+ 340.15194 189.3
[M+NH4]+ 335.19654 181.9
[M+K]+ 356.12588 182.5
[M-H]- 316.15544 180.9
[M+Na-2H]- 338.13739 179.2
[M]+ 317.16217 178.5
[M]- 317.16327 178.5
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.