CID 3074349

Methyl 1-(2-(1,3-dioxan-2-yl)ethyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate

Structural Information

Molecular Formula
C22H32N2O5
SMILES
CCC(=O)N(C1CCN(CC1C(=O)OC)CCC2OCCCO2)C3=CC=CC=C3
InChI
InChI=1S/C22H32N2O5/c1-3-20(25)24(17-8-5-4-6-9-17)19-10-12-23(16-18(19)22(26)27-2)13-11-21-28-14-7-15-29-21/h4-6,8-9,18-19,21H,3,7,10-16H2,1-2H3
InChIKey
DJGAUJIDNAGYMR-UHFFFAOYSA-N
Compound name
methyl 1-[2-(1,3-dioxan-2-yl)ethyl]-4-(N-propanoylanilino)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.2311 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.23838 198.9
[M+Na]+ 427.22032 207.6
[M+NH4]+ 422.26492 203.8
[M+K]+ 443.19426 203.2
[M-H]- 403.22382 205.3
[M+Na-2H]- 425.20577 202.2
[M]+ 404.23055 201.5
[M]- 404.23165 201.5
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.