CID 5357476

Phpypr

Structural Information

Molecular Formula

C₁₄H₁₁NO

SMILES

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

InChI

InChI=1S/C14H11NO/c16-14(13-4-2-1-3-5-13)7-6-12-8-10-15-11-9-12/h1-11H/b7-6+

InChIKey

MSXXXMPYLQXAKL-VOTSOKGWSA-N

Compound name

(E)-1-phenyl-3-pyridin-4-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 38
Patents: 209.08406 Da
Monoisotopic Mass: 2.0
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]+	210.09134	145.8
[M+Na]+	232.07328	152.8
[M-H]-	208.07678	150.7
[M+NH4]+	227.11788	162.6
[M+K]+	248.04722	148.4
[M+H-H2O]+	192.08132	137.6
[M+HCOO]-	254.08226	168.5
[M+CH3COO]-	268.09791	185.2
[M+Na-2H]-	230.05873	152.8
[M]+	209.08351	144.6
[M]-	209.08461	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe