CID 435362

Nsc 368652

Structural Information

Molecular Formula
C20H25NO5
SMILES
CC1=COC2=C3C=COC3=C(C(=C12)OCC(CN4CCCCC4)O)OC
InChI
InChI=1S/C20H25NO5/c1-13-11-25-17-15-6-9-24-18(15)20(23-2)19(16(13)17)26-12-14(22)10-21-7-4-3-5-8-21/h6,9,11,14,22H,3-5,7-8,10,12H2,1-2H3
InChIKey
ZYHCHTRKHCAAPA-UHFFFAOYSA-N
Compound name
1-(5-methoxy-3-methylfuro[2,3-g][1]benzofuran-4-yl)oxy-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17328 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.18056 183.1
[M+Na]+ 382.16250 190.9
[M-H]- 358.16600 190.8
[M+NH4]+ 377.20710 196.9
[M+K]+ 398.13644 189.6
[M+H-H2O]+ 342.17054 176.6
[M+HCOO]- 404.17148 200.2
[M+CH3COO]- 418.18713 194.1
[M+Na-2H]- 380.14795 184.2
[M]+ 359.17273 189.9
[M]- 359.17383 189.9
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.