CID 72707125

1531586-58-9

Structural Information

Molecular Formula
C24H27N3O3
SMILES
C1CN(CCC1CCN2C(=O)C3=CC4=C(C=C3C25CC5)OCO4)CC6=CC=CC=N6
InChI
InChI=1S/C24H27N3O3/c28-23-19-13-21-22(30-16-29-21)14-20(19)24(7-8-24)27(23)12-6-17-4-10-26(11-5-17)15-18-3-1-2-9-25-18/h1-3,9,13-14,17H,4-8,10-12,15-16H2
InChIKey
SJXBQKLTADWYTC-UHFFFAOYSA-N
Compound name
6-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethyl]spiro[[1,3]dioxolo[4,5-f]isoindole-7,1'-cyclopropane]-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

405.20523 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.21251 201.5
[M+Na]+ 428.19445 209.8
[M-H]- 404.19795 211.4
[M+NH4]+ 423.23905 208.1
[M+K]+ 444.16839 205.5
[M+H-H2O]+ 388.20249 191.9
[M+HCOO]- 450.20343 211.9
[M+CH3COO]- 464.21908 209.3
[M+Na-2H]- 426.17990 199.4
[M]+ 405.20468 202.8
[M]- 405.20578 202.8
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

patents stripe