CID 392527

Nsc693043

Structural Information

Molecular Formula
C26H28N2O4
SMILES
CCC1CN(C(C(=O)C1CC(=O)OC)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H28N2O4/c1-3-17-16-28(26(31)18-9-5-4-6-10-18)23(25(30)21(17)14-24(29)32-2)13-19-15-27-22-12-8-7-11-20(19)22/h4-12,15,17,21,23,27H,3,13-14,16H2,1-2H3
InChIKey
LQPFWHUHISWTOT-UHFFFAOYSA-N
Compound name
methyl 2-[1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxopiperidin-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.2049 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.21218 206.8
[M+Na]+ 455.19412 212.1
[M-H]- 431.19762 213.1
[M+NH4]+ 450.23872 215.2
[M+K]+ 471.16806 205.8
[M+H-H2O]+ 415.20216 196.3
[M+HCOO]- 477.20310 220.9
[M+CH3COO]- 491.21875 227.4
[M+Na-2H]- 453.17957 203.0
[M]+ 432.20435 207.1
[M]- 432.20545 207.1
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.