CID 670481

Acetic acid, ((5,6-dimethyl-1h-benzimidazol-2-yl)thio)-, hydrazide, dihydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₄OS

SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)NN

InChI

InChI=1S/C11H14N4OS/c1-6-3-8-9(4-7(6)2)14-11(13-8)17-5-10(16)15-12/h3-4H,5,12H2,1-2H3,(H,13,14)(H,15,16)

InChIKey

AYCXDQHIVYLKFI-UHFFFAOYSA-N

Compound name

2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 250.08884 Da
Monoisotopic Mass: 1.7
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]+	251.096116	153.9
[M+Na]+	273.078058	163.8
[M-H]-	249.081564	155.1
[M+NH4]+	268.122663	171.1
[M+K]+	289.051998	158.5
[M+H-H2O]+	233.086100	147.2
[M+HCOO]-	295.087041	171.4
[M+CH3COO]-	309.102691	195.3
[M+Na-2H]-	271.063506	156.2
[M]+	250.08829142	155.9
[M]-	250.08938858	155.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.