CID 218398

40536-31-0

Structural Information

Molecular Formula
C25H29N3O3
SMILES
CNC(=O)CN1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C25H29N3O3/c1-26-24(29)17-28-14-12-27(13-15-28)16-21-18-30-25(31-21)22-8-4-2-6-19(22)10-11-20-7-3-5-9-23(20)25/h2-11,21H,12-18H2,1H3,(H,26,29)
InChIKey
CIZVUZKPOWHXJO-UHFFFAOYSA-N
Compound name
N-methyl-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.2209 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.22818 208.5
[M+Na]+ 442.21012 218.5
[M+NH4]+ 437.25472 216.1
[M+K]+ 458.18406 212.2
[M-H]- 418.21362 215.2
[M+Na-2H]- 440.19557 212.4
[M]+ 419.22035 211.9
[M]- 419.22145 211.9
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.