CID 57981

100700-32-1

Structural Information

Molecular Formula
C23H33NO8
SMILES
CCC(C(=O)OCCN1CCOCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC
InChI
InChI=1S/C23H33NO8/c1-4-17(23(26)30-12-8-24-6-10-28-11-7-24)32-19-15-5-9-29-20(15)22(27-3)21-18(19)16(25)13-14(2)31-21/h5,9,13,15,17-22H,4,6-8,10-12H2,1-3H3
InChIKey
WUYNVRNGBVQRNG-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-[(9-methoxy-7-methyl-5-oxo-3a,4,4a,8a,9,9a-hexahydrofuro[3,2-g]chromen-4-yl)oxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.2206 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22788 206.9
[M+Na]+ 474.20982 208.5
[M-H]- 450.21332 213.5
[M+NH4]+ 469.25442 213.3
[M+K]+ 490.18376 210.5
[M+H-H2O]+ 434.21786 198.8
[M+HCOO]- 496.21880 213.6
[M+CH3COO]- 510.23445 233.6
[M+Na-2H]- 472.19527 203.7
[M]+ 451.22005 210.3
[M]- 451.22115 210.3
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.