CID 204470

Benzoic acid, 2-(2-thienylmethylene)hydrazide

Structural Information

Molecular Formula

C₁₂H₁₀N₂OS

SMILES

C1=CC=C(C=C1)C(=O)NN=CC2=CC=CS2

InChI

InChI=1S/C12H10N2OS/c15-12(10-5-2-1-3-6-10)14-13-9-11-7-4-8-16-11/h1-9H,(H,14,15)

InChIKey

CSNLKZXFSZSMCJ-UHFFFAOYSA-N

Compound name

N-(thiophen-2-ylmethylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 15
Patents: 230.05139 Da
Monoisotopic Mass: 3.1
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]+	231.05867	150.1
[M+Na]+	253.04061	157.3
[M-H]-	229.04411	158.5
[M+NH4]+	248.08521	170.2
[M+K]+	269.01455	153.6
[M+H-H2O]+	213.04865	142.8
[M+HCOO]-	275.04959	174.0
[M+CH3COO]-	289.06524	191.8
[M+Na-2H]-	251.02606	153.9
[M]+	230.05084	151.4
[M]-	230.05194	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe