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 202.6
[M+Na]+ 446.21492 205.8
[M-H]- 422.21842 209.0
[M+NH4]+ 441.25952 214.1
[M+K]+ 462.18886 207.7
[M+H-H2O]+ 406.22296 196.0
[M+HCOO]- 468.22390 216.3
[M+CH3COO]- 482.23955 236.1
[M+Na-2H]- 444.20037 200.3
[M]+ 423.22515 210.6
[M]- 423.22625 210.6
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.