CID 3074352

Methyl 1-(3-butenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate

Structural Information

Molecular Formula
C20H28N2O3
SMILES
CCC(=O)N(C1CCN(CC1C(=O)OC)CCC=C)C2=CC=CC=C2
InChI
InChI=1S/C20H28N2O3/c1-4-6-13-21-14-12-18(17(15-21)20(24)25-3)22(19(23)5-2)16-10-8-7-9-11-16/h4,7-11,17-18H,1,5-6,12-15H2,2-3H3
InChIKey
JOQKFXIVXGCWAO-UHFFFAOYSA-N
Compound name
methyl 1-but-3-enyl-4-(N-propanoylanilino)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.21 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.21728 185.1
[M+Na]+ 367.19922 187.3
[M-H]- 343.20272 190.1
[M+NH4]+ 362.24382 196.8
[M+K]+ 383.17316 184.9
[M+H-H2O]+ 327.20726 175.5
[M+HCOO]- 389.20820 202.5
[M+CH3COO]- 403.22385 218.4
[M+Na-2H]- 365.18467 183.1
[M]+ 344.20945 184.6
[M]- 344.21055 184.6
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.