CID 36493

Brn 0504279

Structural Information

Molecular Formula
C31H37N3O
SMILES
CC1CCCN(C1)CCCC2(C3=CC=CC=C3N(C2=O)N(C)CC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C31H37N3O/c1-25-13-11-21-33(23-25)22-12-20-31(27-16-7-4-8-17-27)28-18-9-10-19-29(28)34(30(31)35)32(2)24-26-14-5-3-6-15-26/h3-10,14-19,25H,11-13,20-24H2,1-2H3
InChIKey
CUMXHINERNWHNV-UHFFFAOYSA-N
Compound name
1-[benzyl(methyl)amino]-3-[3-(3-methylpiperidin-1-yl)propyl]-3-phenylindol-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 219.9
[M+Na]+ 490.28289 222.4
[M-H]- 466.28639 229.9
[M+NH4]+ 485.32749 228.9
[M+K]+ 506.25683 215.1
[M+H-H2O]+ 450.29093 205.8
[M+HCOO]- 512.29187 234.5
[M+CH3COO]- 526.30752 225.9
[M+Na-2H]- 488.26834 217.1
[M]+ 467.29312 216.7
[M]- 467.29422 216.7
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.