CID 2724431

72996-78-2

Structural Information

Molecular Formula
C16H22N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCNCC2)C(=O)OC
InChI
InChI=1S/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3
InChIKey
HFNFODVRYCEIQL-UHFFFAOYSA-N
Compound name
methyl 4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

58
Patents

290.16306 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.17034 169.3
[M+Na]+ 313.15228 171.7
[M-H]- 289.15578 173.2
[M+NH4]+ 308.19688 184.1
[M+K]+ 329.12622 170.3
[M+H-H2O]+ 273.16032 161.0
[M+HCOO]- 335.16126 186.5
[M+CH3COO]- 349.17691 201.9
[M+Na-2H]- 311.13773 171.5
[M]+ 290.16251 165.8
[M]- 290.16361 165.8
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