CID 57983

100700-33-2

Structural Information

Molecular Formula
C24H35NO7
SMILES
CCC(C(=O)OCCN1CCCCC1)OC2C3C=COC3C(C4C2C(=O)C=C(O4)C)OC
InChI
InChI=1S/C24H35NO7/c1-4-18(24(27)30-13-11-25-9-6-5-7-10-25)32-20-16-8-12-29-21(16)23(28-3)22-19(20)17(26)14-15(2)31-22/h8,12,14,16,18-23H,4-7,9-11,13H2,1-3H3
InChIKey
HBXCYGAZVNCLDB-UHFFFAOYSA-N
Compound name
2-piperidin-1-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

449.24136 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.24864 208.1
[M+Na]+ 472.23058 209.3
[M-H]- 448.23408 213.9
[M+NH4]+ 467.27518 216.0
[M+K]+ 488.20452 209.5
[M+H-H2O]+ 432.23862 199.7
[M+HCOO]- 494.23956 215.2
[M+CH3COO]- 508.25521 233.6
[M+Na-2H]- 470.21603 203.6
[M]+ 449.24081 209.7
[M]- 449.24191 209.7
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.