CID 38639

2-indolinone, 1-(benzylmethylamino)-3-phenyl-3-(4-piperidinobutyl)-, monohydrochloride

Structural Information

Molecular Formula
C31H37N3O
SMILES
CN(CC1=CC=CC=C1)N2C3=CC=CC=C3C(C2=O)(CCCCN4CCCCC4)C5=CC=CC=C5
InChI
InChI=1S/C31H37N3O/c1-32(25-26-15-5-2-6-16-26)34-29-20-10-9-19-28(29)31(30(34)35,27-17-7-3-8-18-27)21-11-14-24-33-22-12-4-13-23-33/h2-3,5-10,15-20H,4,11-14,21-25H2,1H3
InChIKey
BGJRJHZJCBOQMB-UHFFFAOYSA-N
Compound name
1-[benzyl(methyl)amino]-3-phenyl-3-(4-piperidin-1-ylbutyl)indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.29367 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30095 219.2
[M+Na]+ 490.28289 220.8
[M-H]- 466.28639 228.8
[M+NH4]+ 485.32749 227.9
[M+K]+ 506.25683 213.4
[M+H-H2O]+ 450.29093 204.8
[M+HCOO]- 512.29187 233.9
[M+CH3COO]- 526.30752 224.9
[M+Na-2H]- 488.26834 217.1
[M]+ 467.29312 215.5
[M]- 467.29422 215.5
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.