CID 3054777

1-(oxo(2-phenyl-1h-indol-3-yl)acetyl)-4-phenyl-4-piperidinol

Structural Information

Molecular Formula
C27H24N2O3
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)C(=O)C(=O)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5
InChI
InChI=1S/C27H24N2O3/c30-25(26(31)29-17-15-27(32,16-18-29)20-11-5-2-6-12-20)23-21-13-7-8-14-22(21)28-24(23)19-9-3-1-4-10-19/h1-14,28,32H,15-18H2
InChIKey
ZGTNEGBUHHFDTP-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-4-phenylpiperidin-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

424.17868 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18596 203.4
[M+Na]+ 447.16790 208.2
[M-H]- 423.17140 211.3
[M+NH4]+ 442.21250 212.3
[M+K]+ 463.14184 200.6
[M+H-H2O]+ 407.17594 191.7
[M+HCOO]- 469.17688 216.5
[M+CH3COO]- 483.19253 210.3
[M+Na-2H]- 445.15335 203.1
[M]+ 424.17813 198.5
[M]- 424.17923 198.5
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

patents stripe