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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05899 142.6
[M+Na]+ 238.04093 154.7
[M-H]- 214.04443 147.9
[M+NH4]+ 233.08553 163.3
[M+K]+ 254.01487 149.1
[M+H-H2O]+ 198.04897 136.6
[M+HCOO]- 260.04991 162.7
[M+CH3COO]- 274.06556 156.5
[M+Na-2H]- 236.02638 145.7
[M]+ 215.05116 144.0
[M]- 215.05226 144.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe