CID 15558419

(+-)-aegeline

Structural Information

Molecular Formula

C₁₈H₁₉NO₃

SMILES

COC1=CC=C(C=C1)C(CNC(=O)/C=C/C2=CC=CC=C2)O

InChI

InChI=1S/C18H19NO3/c1-22-16-10-8-15(9-11-16)17(20)13-19-18(21)12-7-14-5-3-2-4-6-14/h2-12,17,20H,13H2,1H3,(H,19,21)/b12-7+

InChIKey

QRFDENJATPJOKG-KPKJPENVSA-N

Compound name

(E)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-phenylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 1
Patents: 297.1365 Da
Monoisotopic Mass: 2.4
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]+	298.14378	170.7
[M+Na]+	320.12572	175.1
[M-H]-	296.12922	175.4
[M+NH4]+	315.17032	184.4
[M+K]+	336.09966	170.9
[M+H-H2O]+	280.13376	162.5
[M+HCOO]-	342.13470	192.3
[M+CH3COO]-	356.15035	202.5
[M+Na-2H]-	318.11117	173.4
[M]+	297.13595	170.4
[M]-	297.13705	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe