CID 286970

1-(2-thienyl)ethanone phenylhydrazone

Structural Information

Molecular Formula

C₁₂H₁₂N₂S

SMILES

CC(=NNC1=CC=CC=C1)C2=CC=CS2

InChI

InChI=1S/C12H12N2S/c1-10(12-8-5-9-15-12)13-14-11-6-3-2-4-7-11/h2-9,14H,1H3

InChIKey

QWAZWODLXPIHLO-UHFFFAOYSA-N

Compound name

N-(1-thiophen-2-ylethylideneamino)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.07211 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]+	217.079386	146.9
[M+Na]+	239.061328	153.8
[M-H]-	215.064834	155.2
[M+NH4]+	234.105933	167.6
[M+K]+	255.035268	150.3
[M+H-H2O]+	199.069370	139.6
[M+HCOO]-	261.070311	170.3
[M+CH3COO]-	275.085961	191.4
[M+Na-2H]-	237.046776	150.6
[M]+	216.07156142	147.5
[M]-	216.07265858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe