CID 29983936

1322681-37-7

Structural Information

Molecular Formula
C24H33NO7
SMILES
CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)OC
InChI
InChI=1S/C24H33NO7/c1-16(6-8-20(26)31-14-11-25-9-12-30-13-10-25)5-7-18-22(28-3)17(2)19-15-32-24(27)21(19)23(18)29-4/h5H,6-15H2,1-4H3/b16-5+
InChIKey
KOEZVGVALFAIMS-FZSIALSZSA-N
Compound name
2-morpholin-4-ylethyl (E)-6-(4,6-dimethoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

447.2257 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.23298 209.7
[M+Na]+ 470.21492 213.2
[M-H]- 446.21842 215.8
[M+NH4]+ 465.25952 217.3
[M+K]+ 486.18886 212.8
[M+H-H2O]+ 430.22296 201.4
[M+HCOO]- 492.22390 221.9
[M+CH3COO]- 506.23955 233.0
[M+Na-2H]- 468.20037 205.4
[M]+ 447.22515 216.3
[M]- 447.22625 216.3
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

patents stripe