CID 12298013

N-methylcarfentanil

Structural Information

Molecular Formula

C₁₇H₂₄N₂O₃

SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)C)C(=O)OC

InChI

InChI=1S/C17H24N2O3/c1-4-15(20)19(14-8-6-5-7-9-14)17(16(21)22-3)10-12-18(2)13-11-17/h5-9H,4,10-13H2,1-3H3

InChIKey

KKEVIELPQLXPRR-UHFFFAOYSA-N

Compound name

methyl 1-methyl-4-(N-propanoylanilino)piperidine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 304.17868 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.185956	172.6
[M+Na]+	327.167898	175.9
[M-H]-	303.171404	178.1
[M+NH4]+	322.212503	187.8
[M+K]+	343.141838	175.2
[M+H-H2O]+	287.175940	164.1
[M+HCOO]-	349.176881	190.9
[M+CH3COO]-	363.192531	208.6
[M+Na-2H]-	325.153346	174.1
[M]+	304.17813142	171.7
[M]-	304.17922858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe