CID 763224

2-(thiophen-2-yl)-1h-1,3-benzodiazol-5-amine dihydrochloride

Structural Information

Molecular Formula

C₁₁H₉N₃S

SMILES

C1=CSC(=C1)C2=NC3=C(N2)C=C(C=C3)N

InChI

InChI=1S/C11H9N3S/c12-7-3-4-8-9(6-7)14-11(13-8)10-2-1-5-15-10/h1-6H,12H2,(H,13,14)

InChIKey

ODERBZFANUDJQA-UHFFFAOYSA-N

Compound name

2-thiophen-2-yl-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 10
Patents: 215.05171 Da
Monoisotopic Mass: 2.2
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]+	216.05899	142.9
[M+Na]+	238.04093	156.0
[M+NH4]+	233.08553	152.4
[M+K]+	254.01487	150.7
[M-H]-	214.04443	146.8
[M+Na-2H]-	236.02638	150.5
[M]+	215.05116	146.3
[M]-	215.05226	146.3

Literature stripe

literature stripe

Patent stripe

patents stripe