CID 62156

Carfentanil

Structural Information

Molecular Formula
C24H30N2O3
SMILES
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3
InChIKey
YDSDEBIZUNNPOB-UHFFFAOYSA-N
Compound name
methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

315
References

5749
Patents

394.22565 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.232926 198.3
[M+Na]+ 417.214868 199.6
[M-H]- 393.218374 205.9
[M+NH4]+ 412.259473 209.0
[M+K]+ 433.188808 196.8
[M+H-H2O]+ 377.222910 187.2
[M+HCOO]- 439.223851 215.4
[M+CH3COO]- 453.239501 225.2
[M+Na-2H]- 415.200316 198.4
[M]+ 394.22510142 196.9
[M]- 394.22619858 196.9
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