CID 65499

Lofentanil

Structural Information

Molecular Formula
C25H32N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)[C@@]2(CCN(C[C@@H]2C)CCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m0/s1
InChIKey
IMYHGORQCPYVBZ-NBGIEHNGSA-N
Compound name
methyl (3S,4R)-3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

55
References

15061
Patents

408.2413 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.24858 201.6
[M+Na]+ 431.23052 213.0
[M+NH4]+ 426.27512 209.2
[M+K]+ 447.20446 203.8
[M-H]- 407.23402 207.0
[M+Na-2H]- 429.21597 210.4
[M]+ 408.24075 204.8
[M]- 408.24185 204.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe