CID 3054615

71510-47-9

Structural Information

Molecular Formula
C22H33NO7
SMILES
CCN(CC)CCOC(=O)C(C)OC1C2C=COC2C(C3C1C(=O)C=C(O3)C)OC
InChI
InChI=1S/C22H33NO7/c1-6-23(7-2)9-11-28-22(25)14(4)30-18-15-8-10-27-19(15)21(26-5)20-17(18)16(24)12-13(3)29-20/h8,10,12,14-15,17-21H,6-7,9,11H2,1-5H3
InChIKey
YVQJUJJIXPLGGY-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2257 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23298 200.4
[M+Na]+ 446.21492 207.2
[M+NH4]+ 441.25952 205.0
[M+K]+ 462.18886 206.0
[M-H]- 422.21842 202.8
[M+Na-2H]- 444.20037 197.2
[M]+ 423.22515 201.6
[M]- 423.22625 201.6
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.