CID 454638

3-[4-(1-ethoxycarbonylpiperidinyl)methyl]-1-phenylindolin-2-one

Structural Information

Molecular Formula
C23H26N2O3
SMILES
CCOC(=O)N1CCC(CC1)CC2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O3/c1-2-28-23(27)24-14-12-17(13-15-24)16-20-19-10-6-7-11-21(19)25(22(20)26)18-8-4-3-5-9-18/h3-11,17,20H,2,12-16H2,1H3
InChIKey
PORQABAJLALGHU-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-oxo-1-phenyl-3H-indol-3-yl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.20162 193.7
[M+Na]+ 401.18356 198.2
[M-H]- 377.18706 200.5
[M+NH4]+ 396.22816 204.8
[M+K]+ 417.15750 192.8
[M+H-H2O]+ 361.19160 182.8
[M+HCOO]- 423.19254 208.1
[M+CH3COO]- 437.20819 201.8
[M+Na-2H]- 399.16901 191.3
[M]+ 378.19379 191.4
[M]- 378.19489 191.4
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.