CID 510869

4-[1-(diphenylcarbamoyl)-4-phenyl-4-piperidyl]-2,4-dioxo-butanoic acid

Structural Information

Molecular Formula
C28H26N2O5
SMILES
C1CN(CCC1(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H26N2O5/c31-24(26(33)34)20-25(32)28(21-10-4-1-5-11-21)16-18-29(19-17-28)27(35)30(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2,(H,33,34)
InChIKey
YZZXBEGVKFYGDW-UHFFFAOYSA-N
Compound name
4-[1-(diphenylcarbamoyl)-4-phenylpiperidin-4-yl]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.18417 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.19145 211.9
[M+Na]+ 493.17339 211.4
[M-H]- 469.17689 220.9
[M+NH4]+ 488.21799 217.1
[M+K]+ 509.14733 208.6
[M+H-H2O]+ 453.18143 199.7
[M+HCOO]- 515.18237 225.7
[M+CH3COO]- 529.19802 235.6
[M+Na-2H]- 491.15884 210.4
[M]+ 470.18362 207.4
[M]- 470.18472 207.4
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.