CID 3046550

Brn 0448100

Structural Information

Molecular Formula
C24H26N2O2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)CC(=O)CN4CCCCC4
InChI
InChI=1S/C24H26N2O2/c1-25-21-13-7-6-12-20(21)23(24(25)18-10-4-2-5-11-18)22(28)16-19(27)17-26-14-8-3-9-15-26/h2,4-7,10-13H,3,8-9,14-17H2,1H3
InChIKey
FWTDJJOPPBVECP-UHFFFAOYSA-N
Compound name
1-(1-methyl-2-phenylindol-3-yl)-4-piperidin-1-ylbutane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.19943 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.20671 192.1
[M+Na]+ 397.18865 206.0
[M+NH4]+ 392.23325 199.5
[M+K]+ 413.16259 199.4
[M-H]- 373.19215 197.2
[M+Na-2H]- 395.17410 199.6
[M]+ 374.19888 195.5
[M]- 374.19998 195.5
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.