CID 11242495

77527-97-0

Structural Information

Molecular Formula

C₁₈H₁₇NO

SMILES

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

InChI

InChI=1S/C18H17NO/c1-19(15-14-17-10-6-3-7-11-17)18(20)13-12-16-8-4-2-5-9-16/h2-15H,1H3/b13-12+,15-14+

InChIKey

VJGRWRRIAJQNFU-SQIWNDBBSA-N

Compound name

(E)-N-methyl-3-phenyl-N-[(E)-2-phenylethenyl]prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 22
Patents: 263.131 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]+	264.13828	164.2
[M+Na]+	286.12022	177.6
[M+NH4]+	281.16482	172.4
[M+K]+	302.09416	168.8
[M-H]-	262.12372	169.3
[M+Na-2H]-	284.10567	173.7
[M]+	263.13045	167.5
[M]-	263.13155	167.5

Literature stripe

literature stripe

Patent stripe

patents stripe