CID 36492

33456-19-8

Structural Information

Molecular Formula
C29H33N3O
SMILES
CN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCCN4CCCC4)C5=CC=CC=C5
InChI
InChI=1S/C29H33N3O/c1-30(23-24-13-4-2-5-14-24)32-27-18-9-8-17-26(27)29(28(32)33,25-15-6-3-7-16-25)19-12-22-31-20-10-11-21-31/h2-9,13-18H,10-12,19-23H2,1H3
InChIKey
UDXSERIMJLXREC-UHFFFAOYSA-N
Compound name
1-[benzyl(methyl)amino]-3-phenyl-3-(3-pyrrolidin-1-ylpropyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.26236 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.26964 211.4
[M+Na]+ 462.25158 224.4
[M+NH4]+ 457.29618 220.9
[M+K]+ 478.22552 216.1
[M-H]- 438.25508 219.6
[M+Na-2H]- 460.23703 221.4
[M]+ 439.26181 215.7
[M]- 439.26291 215.7
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.