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]+ 375.206706 192.6
[M+Na]+ 397.188648 197.5
[M-H]- 373.192154 199.6
[M+NH4]+ 392.233253 203.6
[M+K]+ 413.162588 191.2
[M+H-H2O]+ 357.196690 181.6
[M+HCOO]- 419.197631 208.3
[M+CH3COO]- 433.213281 201.0
[M+Na-2H]- 395.174096 191.1
[M]+ 374.19888142 191.2
[M]- 374.19997858 191.2
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.