CID 454637

3-[(1-benzoyl-4-piperidyl)methyl]-1-phenyl-indolin-2-one

Structural Information

Molecular Formula
C27H26N2O2
SMILES
C1CN(CCC1CC2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C27H26N2O2/c30-26(21-9-3-1-4-10-21)28-17-15-20(16-18-28)19-24-23-13-7-8-14-25(23)29(27(24)31)22-11-5-2-6-12-22/h1-14,20,24H,15-19H2
InChIKey
JKCCLMVHFZWXDL-UHFFFAOYSA-N
Compound name
3-[(1-benzoylpiperidin-4-yl)methyl]-1-phenyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.19943 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20671 202.4
[M+Na]+ 433.18865 206.4
[M-H]- 409.19215 211.9
[M+NH4]+ 428.23325 211.4
[M+K]+ 449.16259 198.8
[M+H-H2O]+ 393.19669 189.9
[M+HCOO]- 455.19763 216.3
[M+CH3COO]- 469.21328 209.6
[M+Na-2H]- 431.17410 199.7
[M]+ 410.19888 197.2
[M]- 410.19998 197.2
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

No patent data available for this compound.