CID 3074353

Methyl 1-(4-methyl-3-pentenyl)-4-((1-oxopropyl)phenylamino)-3-piperidinecarboxylate

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CCC(=O)N(C1CCN(CC1C(=O)OC)CCC=C(C)C)C2=CC=CC=C2
InChI
InChI=1S/C22H32N2O3/c1-5-21(25)24(18-11-7-6-8-12-18)20-13-15-23(14-9-10-17(2)3)16-19(20)22(26)27-4/h6-8,10-12,19-20H,5,9,13-16H2,1-4H3
InChIKey
XOHLMCMFSJPISL-UHFFFAOYSA-N
Compound name
methyl 1-(4-methylpent-3-enyl)-4-(N-propanoylanilino)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 193.9
[M+Na]+ 395.23052 195.1
[M-H]- 371.23402 198.6
[M+NH4]+ 390.27512 204.4
[M+K]+ 411.20446 192.8
[M+H-H2O]+ 355.23856 184.2
[M+HCOO]- 417.23950 209.7
[M+CH3COO]- 431.25515 224.6
[M+Na-2H]- 393.21597 189.8
[M]+ 372.24075 193.5
[M]- 372.24185 193.5
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.