CID 5709353

14385-59-2

Structural Information

Molecular Formula

C₁₅H₁₅NOS

SMILES

CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CS2

InChI

InChI=1S/C15H15NOS/c1-16(2)13-8-5-12(6-9-13)7-10-14(17)15-4-3-11-18-15/h3-11H,1-2H3/b10-7+

InChIKey

KMSYVLGJQGXZJB-JXMROGBWSA-N

Compound name

(E)-3-[4-(dimethylamino)phenyl]-1-thiophen-2-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 9
Patents: 257.08743 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]+	258.09471	160.5
[M+Na]+	280.07665	167.6
[M-H]-	256.08015	168.9
[M+NH4]+	275.12125	180.0
[M+K]+	296.05059	164.0
[M+H-H2O]+	240.08469	153.4
[M+HCOO]-	302.08563	181.2
[M+CH3COO]-	316.10128	198.6
[M+Na-2H]-	278.06210	160.3
[M]+	257.08688	163.4
[M]-	257.08798	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe