CID 176882

Alimadol

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

COC(CCNCC=C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C19H23NO/c1-3-15-20-16-14-19(21-2,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h3-13,20H,1,14-16H2,2H3

InChIKey

QFSWEWNANAHUNE-UHFFFAOYSA-N

Compound name

3-methoxy-3,3-diphenyl-N-prop-2-enylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 105
Patents: 281.17798 Da
Monoisotopic Mass: 3.7
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]+	282.185256	168.9
[M+Na]+	304.167198	173.2
[M-H]-	280.170704	174.5
[M+NH4]+	299.211803	184.0
[M+K]+	320.141138	168.3
[M+H-H2O]+	264.175240	160.7
[M+HCOO]-	326.176181	191.4
[M+CH3COO]-	340.191831	203.5
[M+Na-2H]-	302.152646	175.3
[M]+	281.17743142	169.2
[M]-	281.17852858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe