CID 41346

55165-28-1

Structural Information

Molecular Formula
C24H25NO6
SMILES
CCN(CC1=CC=CC=C1)CC(COC2=C3C(=C(C4=C2OC=CC4=O)O)C=C(O3)C)O
InChI
InChI=1S/C24H25NO6/c1-3-25(12-16-7-5-4-6-8-16)13-17(26)14-30-24-22-18(11-15(2)31-22)21(28)20-19(27)9-10-29-23(20)24/h4-11,17,26,28H,3,12-14H2,1-2H3
InChIKey
MCQXZLAHRGTPOT-UHFFFAOYSA-N
Compound name
9-[3-[benzyl(ethyl)amino]-2-hydroxypropoxy]-4-hydroxy-2-methylfuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.16818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17546 201.1
[M+Na]+ 446.15740 214.9
[M+NH4]+ 441.20200 207.2
[M+K]+ 462.13134 210.8
[M-H]- 422.16090 207.7
[M+Na-2H]- 444.14285 205.2
[M]+ 423.16763 205.0
[M]- 423.16873 205.0
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.