CID 3074354

156724-52-6

Structural Information

Molecular Formula
C23H34N2O3
SMILES
CCC(=O)N(C1CCN(CC1C(=O)OC)CCC(=C(C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C23H34N2O3/c1-6-22(26)25(19-10-8-7-9-11-19)21-13-15-24(14-12-18(4)17(2)3)16-20(21)23(27)28-5/h7-11,20-21H,6,12-16H2,1-5H3
InChIKey
PNWCAOZHGRRFTH-UHFFFAOYSA-N
Compound name
methyl 1-(3,4-dimethylpent-3-enyl)-4-(N-propanoylanilino)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.25696 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.26424 197.6
[M+Na]+ 409.24618 198.2
[M-H]- 385.24968 202.2
[M+NH4]+ 404.29078 207.5
[M+K]+ 425.22012 196.2
[M+H-H2O]+ 369.25422 188.1
[M+HCOO]- 431.25516 212.1
[M+CH3COO]- 445.27081 228.5
[M+Na-2H]- 407.23163 191.9
[M]+ 386.25641 197.0
[M]- 386.25751 197.0
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.