CID 6443800

Cinfenine

Structural Information

Molecular Formula

C₂₅H₂₇NO

SMILES

CN(CCOC(C1=CC=CC=C1)C2=CC=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H27NO/c1-26(19-11-14-22-12-5-2-6-13-22)20-21-27-25(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h2-18,25H,19-21H2,1H3/b14-11+

InChIKey

QTKQVDXGCWKEHE-SDNWHVSQSA-N

Compound name

(E)-N-(2-benzhydryloxyethyl)-N-methyl-3-phenylprop-2-en-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 50
Patents: 357.20926 Da
Monoisotopic Mass: 5.4
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]+	358.216536	191.0
[M+Na]+	380.198478	193.2
[M-H]-	356.201984	200.0
[M+NH4]+	375.243083	202.6
[M+K]+	396.172418	187.8
[M+H-H2O]+	340.206520	180.0
[M+HCOO]-	402.207461	213.6
[M+CH3COO]-	416.223111	220.3
[M+Na-2H]-	378.183926	193.8
[M]+	357.20871142	191.4
[M]-	357.20980858	191.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe