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]+ 389.316276 197.9
[M+Na]+ 411.298218 201.0
[M-H]- 387.301724 203.0
[M+NH4]+ 406.342823 212.5
[M+K]+ 427.272158 198.7
[M+H-H2O]+ 371.306260 189.3
[M+HCOO]- 433.307201 214.4
[M+CH3COO]- 447.322851 229.8
[M+Na-2H]- 409.283666 196.8
[M]+ 388.30845142 200.6
[M]- 388.30954858 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.