CID 3042858

Brn 0458403

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)C(C)CC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)15-17-26(18-16-25)20(2)19-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3
InChIKey
SIKUJMOJXPGHSR-UHFFFAOYSA-N
Compound name
methyl 1-(1-phenylpropan-2-yl)-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

408.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.248576 202.2
[M+Na]+ 431.230518 202.7
[M-H]- 407.234024 209.7
[M+NH4]+ 426.275123 212.2
[M+K]+ 447.204458 200.3
[M+H-H2O]+ 391.238560 191.1
[M+HCOO]- 453.239501 217.9
[M+CH3COO]- 467.255151 229.0
[M+Na-2H]- 429.215966 200.7
[M]+ 408.24075142 200.6
[M]- 408.24184858 200.6
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