CID 454632

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

Structural Information

Molecular Formula
C28H33N3O
SMILES
CN1CCC(=CC1)CC2(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)CC5=CCN(CC5)C
InChI
InChI=1S/C28H33N3O/c1-29-16-12-22(13-17-29)20-28(21-23-14-18-30(2)19-15-23)25-10-6-7-11-26(25)31(27(28)32)24-8-4-3-5-9-24/h3-12,14H,13,15-21H2,1-2H3
InChIKey
LELCIHRCYJBZDJ-UHFFFAOYSA-N
Compound name
3,3-bis[(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

427.26236 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.26964 211.0
[M+Na]+ 450.25158 215.7
[M-H]- 426.25508 219.0
[M+NH4]+ 445.29618 220.3
[M+K]+ 466.22552 207.5
[M+H-H2O]+ 410.25962 197.0
[M+HCOO]- 472.26056 222.4
[M+CH3COO]- 486.27621 217.4
[M+Na-2H]- 448.23703 207.7
[M]+ 427.26181 205.8
[M]- 427.26291 205.8
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.