CID 16307093

Adiporon

Structural Information

Molecular Formula
C27H28N2O3
SMILES
C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C27H28N2O3/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22/h1-14,24H,15-20H2,(H,28,30)
InChIKey
SHHUPGSHGSNPDB-UHFFFAOYSA-N
Compound name
2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

138
References

108
Patents

428.21 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21728 204.7
[M+Na]+ 451.19922 205.3
[M-H]- 427.20272 213.6
[M+NH4]+ 446.24382 210.5
[M+K]+ 467.17316 199.6
[M+H-H2O]+ 411.20726 191.8
[M+HCOO]- 473.20820 221.1
[M+CH3COO]- 487.22385 229.3
[M+Na-2H]- 449.18467 204.6
[M]+ 428.20945 200.2
[M]- 428.21055 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe