CID 2739801

Maybridge4_004062

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₂S₂

SMILES

CC1=CC(=NO1)NC(=O)C(=CC2=CC=CS2)C3=CSC=C3

InChI

InChI=1S/C15H12N2O2S2/c1-10-7-14(17-19-10)16-15(18)13(11-4-6-20-9-11)8-12-3-2-5-21-12/h2-9H,1H3,(H,16,17,18)

InChIKey

MNOSJKOEISMCKJ-UHFFFAOYSA-N

Compound name

N-(5-methyl-1,2-oxazol-3-yl)-3-thiophen-2-yl-2-thiophen-3-ylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 316.03403 Da
Monoisotopic Mass: 3.4
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]+	317.041306	174.6
[M+Na]+	339.023248	185.1
[M-H]-	315.026754	186.0
[M+NH4]+	334.067853	192.8
[M+K]+	354.997188	181.9
[M+H-H2O]+	299.031290	169.7
[M+HCOO]-	361.032231	191.9
[M+CH3COO]-	375.047881	187.5
[M+Na-2H]-	337.008696	171.4
[M]+	316.03348142	180.6
[M]-	316.03457858	180.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.