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

69
Patents

405.20523 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.212506 201.5
[M+Na]+ 428.194448 209.8
[M-H]- 404.197954 211.4
[M+NH4]+ 423.239053 208.1
[M+K]+ 444.168388 205.5
[M+H-H2O]+ 388.202490 191.9
[M+HCOO]- 450.203431 211.9
[M+CH3COO]- 464.219081 209.3
[M+Na-2H]- 426.179896 199.4
[M]+ 405.20468142 202.8
[M]- 405.20577858 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