CID 206914

28866-38-8

Structural Information

Molecular Formula
C24H40N2O2
SMILES
CCCN(CCC)CC1(CN(C(CC1(C2=CC=CC=C2)OC(=O)CC)C)C)C
InChI
InChI=1S/C24H40N2O2/c1-7-15-26(16-8-2)19-23(5)18-25(6)20(4)17-24(23,28-22(27)9-3)21-13-11-10-12-14-21/h10-14,20H,7-9,15-19H2,1-6H3
InChIKey
NGIYNICDABWAIR-UHFFFAOYSA-N
Compound name
[5-[(dipropylamino)methyl]-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.309 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.31628 197.9
[M+Na]+ 411.29822 201.0
[M-H]- 387.30172 203.0
[M+NH4]+ 406.34282 212.5
[M+K]+ 427.27216 198.7
[M+H-H2O]+ 371.30626 189.3
[M+HCOO]- 433.30720 214.4
[M+CH3COO]- 447.32285 229.8
[M+Na-2H]- 409.28367 196.8
[M]+ 388.30845 200.6
[M]- 388.30955 200.6
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.