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 202.0
[M+Na]+ 446.15740 209.6
[M-H]- 422.16090 211.3
[M+NH4]+ 441.20200 212.1
[M+K]+ 462.13134 208.4
[M+H-H2O]+ 406.16544 193.6
[M+HCOO]- 468.16638 221.0
[M+CH3COO]- 482.18203 230.0
[M+Na-2H]- 444.14285 204.6
[M]+ 423.16763 211.3
[M]- 423.16873 211.3
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.