CID 23723457

1069498-96-9

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=C(C=C2)NC(=O)C)CCC3=CC=CC=C3
InChI
InChI=1S/C25H32N2O3/c1-3-30-24(29)25(14-13-21-7-5-4-6-8-21)15-17-27(18-16-25)19-22-9-11-23(12-10-22)26-20(2)28/h4-12H,3,13-19H2,1-2H3,(H,26,28)
InChIKey
VUXRYYSKTWDPLO-UHFFFAOYSA-N
Compound name
ethyl 1-[(4-acetamidophenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

3
Patents

408.2413 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 203.1
[M+Na]+ 431.23052 214.2
[M+NH4]+ 426.27512 210.4
[M+K]+ 447.20446 204.5
[M-H]- 407.23402 208.1
[M+Na-2H]- 429.21597 211.5
[M]+ 408.24075 206.0
[M]- 408.24185 206.0
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