CID 24843021

96579-54-3

Structural Information

Molecular Formula
C25H34N2O2
SMILES
CCC(=O)OC1(CCN(CC1C)CCN(CC)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O2/c1-4-24(28)29-25(22-12-8-6-9-13-22)16-17-26(20-21(25)3)18-19-27(5-2)23-14-10-7-11-15-23/h6-15,21H,4-5,16-20H2,1-3H3
InChIKey
IKHBQNHZOKYIDN-UHFFFAOYSA-N
Compound name
[1-[2-(N-ethylanilino)ethyl]-3-methyl-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.26202 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26930 200.6
[M+Na]+ 417.25124 202.4
[M-H]- 393.25474 208.3
[M+NH4]+ 412.29584 211.7
[M+K]+ 433.22518 198.7
[M+H-H2O]+ 377.25928 189.2
[M+HCOO]- 439.26022 217.9
[M+CH3COO]- 453.27587 227.7
[M+Na-2H]- 415.23669 200.4
[M]+ 394.26147 199.8
[M]- 394.26257 199.8
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.