CID 3042858

60645-02-5

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

3
Patents

408.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 202.2
[M+Na]+ 431.23052 202.7
[M-H]- 407.23402 209.7
[M+NH4]+ 426.27512 212.2
[M+K]+ 447.20446 200.3
[M+H-H2O]+ 391.23856 191.1
[M+HCOO]- 453.23950 217.9
[M+CH3COO]- 467.25515 229.0
[M+Na-2H]- 429.21597 200.7
[M]+ 408.24075 200.6
[M]- 408.24185 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