CID 454646

3-benzyl-3-[(1-methyl-3,6-dihydro-2h-pyridin-4-yl)methyl]-1-phenyl-indolin-2-one

Structural Information

Molecular Formula
C28H28N2O
SMILES
CN1CCC(=CC1)CC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C28H28N2O/c1-29-18-16-23(17-19-29)21-28(20-22-10-4-2-5-11-22)25-14-8-9-15-26(25)30(27(28)31)24-12-6-3-7-13-24/h2-16H,17-21H2,1H3
InChIKey
FTDPZVDHXOWFPP-UHFFFAOYSA-N
Compound name
3-benzyl-3-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-1-phenylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.22015 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.22743 204.7
[M+Na]+ 431.20937 210.7
[M-H]- 407.21287 214.6
[M+NH4]+ 426.25397 216.1
[M+K]+ 447.18331 202.2
[M+H-H2O]+ 391.21741 191.5
[M+HCOO]- 453.21835 220.4
[M+CH3COO]- 467.23400 212.6
[M+Na-2H]- 429.19482 204.2
[M]+ 408.21960 201.4
[M]- 408.22070 201.4
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.