CID 5405581

24523-54-4

Structural Information

Molecular Formula

C₁₂H₁₂N₂S₂

SMILES

C/C(=N\N=C(\C1=CC=CS1)/C)/C2=CC=CS2

InChI

InChI=1S/C12H12N2S2/c1-9(11-5-3-7-15-11)13-14-10(2)12-6-4-8-16-12/h3-8H,1-2H3/b13-9+,14-10+

InChIKey

CVPWLODMVVPHSM-UTLPMFLDSA-N

Compound name

(E)-1-thiophen-2-yl-N-[(E)-1-thiophen-2-ylethylideneamino]ethanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.04419 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]+	249.051466	158.3
[M+Na]+	271.033408	167.5
[M-H]-	247.036914	168.7
[M+NH4]+	266.078013	180.8
[M+K]+	287.007348	164.0
[M+H-H2O]+	231.041450	151.6
[M+HCOO]-	293.042391	178.7
[M+CH3COO]-	307.058041	197.9
[M+Na-2H]-	269.018856	157.7
[M]+	248.04364142	163.0
[M]-	248.04473858	163.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.