CID 36556

2-indolinone, 1-(benzylmethylamino)-3-phenyl-3-(3-piperidinopropyl)-, monohydrochloride

Structural Information

Molecular Formula
C30H35N3O
SMILES
CN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCCN4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C30H35N3O/c1-31(24-25-14-5-2-6-15-25)33-28-19-10-9-18-27(28)30(29(33)34,26-16-7-3-8-17-26)20-13-23-32-21-11-4-12-22-32/h2-3,5-10,14-19H,4,11-13,20-24H2,1H3
InChIKey
BYHIAFHDNLSFKH-UHFFFAOYSA-N
Compound name
1-[benzyl(methyl)amino]-3-phenyl-3-(3-piperidin-1-ylpropyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.278 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.285276 215.1
[M+Na]+ 476.267218 217.2
[M-H]- 452.270724 224.9
[M+NH4]+ 471.311823 224.3
[M+K]+ 492.241158 209.9
[M+H-H2O]+ 436.275260 200.9
[M+HCOO]- 498.276201 230.1
[M+CH3COO]- 512.291851 221.2
[M+Na-2H]- 474.252666 213.5
[M]+ 453.27745142 211.1
[M]- 453.27854858 211.1
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.