CID 5370611

Cinnamedrine

Structural Information

Molecular Formula

C₁₉H₂₃NO

SMILES

CC(C(C1=CC=CC=C1)O)N(C)C/C=C/C2=CC=CC=C2

InChI

InChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+

InChIKey

YMJMZFPZRVMNCH-FMIVXFBMSA-N

Compound name

2-[methyl-[(E)-3-phenylprop-2-enyl]amino]-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 12
References: 2891
Patents: 281.17798 Da
Monoisotopic Mass: 3.8
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	170.3
[M+Na]+	304.167198	173.2
[M-H]-	280.170704	175.8
[M+NH4]+	299.211803	185.0
[M+K]+	320.141138	169.5
[M+H-H2O]+	264.175240	161.8
[M+HCOO]-	326.176181	191.3
[M+CH3COO]-	340.191831	205.0
[M+Na-2H]-	302.152646	172.3
[M]+	281.17743142	169.1
[M]-	281.17852858	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe