CID 3088095

8-azaspiro(4.5)decane-7,9-dione, 8-(4-(4-(5-methoxy-1h-indol-3-yl)-1-piperidinyl)butyl)-

Structural Information

Molecular Formula
C27H37N3O3
SMILES
COC1=CC2=C(C=C1)NC=C2C3CCN(CC3)CCCCN4C(=O)CC5(CCCC5)CC4=O
InChI
InChI=1S/C27H37N3O3/c1-33-21-6-7-24-22(16-21)23(19-28-24)20-8-14-29(15-9-20)12-4-5-13-30-25(31)17-27(18-26(30)32)10-2-3-11-27/h6-7,16,19-20,28H,2-5,8-15,17-18H2,1H3
InChIKey
LCKKOPBUOJSSGK-UHFFFAOYSA-N
Compound name
8-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

451.28348 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.29076 214.2
[M+Na]+ 474.27270 217.3
[M-H]- 450.27620 220.1
[M+NH4]+ 469.31730 224.3
[M+K]+ 490.24664 209.9
[M+H-H2O]+ 434.28074 202.6
[M+HCOO]- 496.28168 223.2
[M+CH3COO]- 510.29733 219.6
[M+Na-2H]- 472.25815 207.3
[M]+ 451.28293 208.2
[M]- 451.28403 208.2
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