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 200.7
[M+Na]+ 427.22032 199.9
[M-H]- 403.22382 208.9
[M+NH4]+ 422.26492 206.2
[M+K]+ 443.19426 200.8
[M+H-H2O]+ 387.22836 189.5
[M+HCOO]- 449.22930 212.7
[M+CH3COO]- 463.24495 227.2
[M+Na-2H]- 425.20577 198.6
[M]+ 404.23055 198.6
[M]- 404.23165 198.6
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

No patent data available for this compound.