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]+ 454.28528 215.1
[M+Na]+ 476.26722 217.2
[M-H]- 452.27072 224.9
[M+NH4]+ 471.31182 224.3
[M+K]+ 492.24116 209.9
[M+H-H2O]+ 436.27526 200.9
[M+HCOO]- 498.27620 230.1
[M+CH3COO]- 512.29185 221.2
[M+Na-2H]- 474.25267 213.5
[M]+ 453.27745 211.1
[M]- 453.27855 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.