CID 434441

2-(1-piperidinyl)ethyl ((4,9-dimethyl-2-oxo-2h-furo(2,3-h)chromen-6-yl)oxy)acetate

Structural Information

Molecular Formula
C22H25NO6
SMILES
CC1=CC(=O)OC2=C3C(=COC3=C(C=C12)OCC(=O)OCCN4CCCCC4)C
InChI
InChI=1S/C22H25NO6/c1-14-10-18(24)29-21-16(14)11-17(22-20(21)15(2)12-28-22)27-13-19(25)26-9-8-23-6-4-3-5-7-23/h10-12H,3-9,13H2,1-2H3
InChIKey
WDJWRKXABZGKAZ-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2-(4,9-dimethyl-2-oxofuro[2,3-h]chromen-6-yl)oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.16818 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.17546 193.7
[M+Na]+ 422.15740 201.5
[M-H]- 398.16090 202.2
[M+NH4]+ 417.20200 204.5
[M+K]+ 438.13134 200.1
[M+H-H2O]+ 382.16544 185.0
[M+HCOO]- 444.16638 209.7
[M+CH3COO]- 458.18203 222.6
[M+Na-2H]- 420.14285 195.4
[M]+ 399.16763 200.9
[M]- 399.16873 200.9
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.