CID 667594

Sb-366791

Structural Information

Molecular Formula

C₁₆H₁₄ClNO₂

SMILES

COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+

InChIKey

RYAMDQKWNKKFHD-JXMROGBWSA-N

Compound name

(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 136
References: 190
Patents: 287.07132 Da
Monoisotopic Mass: 4.2
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]+	288.078596	164.6
[M+Na]+	310.060538	172.5
[M-H]-	286.064044	171.2
[M+NH4]+	305.105143	180.8
[M+K]+	326.034478	166.7
[M+H-H2O]+	270.068580	157.6
[M+HCOO]-	332.069521	184.7
[M+CH3COO]-	346.085171	200.8
[M+Na-2H]-	308.045986	168.8
[M]+	287.07077142	167.4
[M]-	287.07186858	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe