CID 454635

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

Structural Information

Molecular Formula
C30H37N3O
SMILES
CCN1CCC(=CC1)CC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC5=CCN(CC5)CC
InChI
InChI=1S/C30H37N3O/c1-3-31-18-14-24(15-19-31)22-30(23-25-16-20-32(4-2)21-17-25)27-12-8-9-13-28(27)33(29(30)34)26-10-6-5-7-11-26/h5-14,16H,3-4,15,17-23H2,1-2H3
InChIKey
KRHRJRACWJUGMB-UHFFFAOYSA-N
Compound name
3,3-bis[(1-ethyl-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

455.29367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.30095 219.3
[M+Na]+ 478.28289 223.0
[M-H]- 454.28639 226.8
[M+NH4]+ 473.32749 227.4
[M+K]+ 494.25683 214.4
[M+H-H2O]+ 438.29093 204.8
[M+HCOO]- 500.29187 230.0
[M+CH3COO]- 514.30752 224.8
[M+Na-2H]- 476.26834 214.9
[M]+ 455.29312 214.6
[M]- 455.29422 214.6
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.