CID 218388

40536-24-1

Structural Information

Molecular Formula
C26H32N2O4
SMILES
CCOC(=O)CN1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4CCC5=CC=CC=C35
InChI
InChI=1S/C26H32N2O4/c1-2-30-25(29)18-28-15-13-27(14-16-28)17-22-19-31-26(32-22)23-9-5-3-7-20(23)11-12-21-8-4-6-10-24(21)26/h3-10,22H,2,11-19H2,1H3
InChIKey
YIXFTQMCBBMIGM-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.2362 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.24348 212.4
[M+Na]+ 459.22542 222.1
[M+NH4]+ 454.27002 219.8
[M+K]+ 475.19936 215.9
[M-H]- 435.22892 218.2
[M+Na-2H]- 457.21087 215.2
[M]+ 436.23565 215.6
[M]- 436.23675 215.6
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.