CID 3088098

116966-98-4

Structural Information

Molecular Formula
C26H35N3O3
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCC(CC3)C4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C26H35N3O3/c30-22-17-26(11-3-4-12-26)18-23(31)29(22)14-6-5-13-28-15-9-19(10-16-28)24-20-7-1-2-8-21(20)27-25(24)32/h1-2,7-8,19,24H,3-6,9-18H2,(H,27,32)
InChIKey
BZKMGEDLYOKIRJ-UHFFFAOYSA-N
Compound name
8-[4-[4-(2-oxo-1,3-dihydroindol-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

437.26785 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.27513 211.8
[M+Na]+ 460.25707 213.6
[M-H]- 436.26057 216.9
[M+NH4]+ 455.30167 222.1
[M+K]+ 476.23101 206.2
[M+H-H2O]+ 420.26511 200.4
[M+HCOO]- 482.26605 218.3
[M+CH3COO]- 496.28170 216.5
[M+Na-2H]- 458.24252 203.3
[M]+ 437.26730 201.9
[M]- 437.26840 201.9
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

patents stripe