CID 10472960

Crotonyl fentanyl

Structural Information

Molecular Formula

C₂₃H₂₈N₂O

SMILES

C/C=C/C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O/c1-2-9-23(26)25(21-12-7-4-8-13-21)22-15-18-24(19-16-22)17-14-20-10-5-3-6-11-20/h2-13,22H,14-19H2,1H3/b9-2+

InChIKey

VDYXGPCGBKLRDA-XNWCZRBMSA-N

Compound name

(E)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]but-2-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 3
Patents: 348.22015 Da
Monoisotopic Mass: 4.4
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]+	349.227426	187.8
[M+Na]+	371.209368	189.1
[M-H]-	347.212874	195.1
[M+NH4]+	366.253973	198.5
[M+K]+	387.183308	184.0
[M+H-H2O]+	331.217410	176.5
[M+HCOO]-	393.218351	205.8
[M+CH3COO]-	407.234001	217.8
[M+Na-2H]-	369.194816	188.3
[M]+	348.21960142	183.4
[M]-	348.22069858	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe