CID 42597044

2-amino-5,6-dichloro-1-cyclopentyl-1h-benzimidazole

Structural Information

Molecular Formula
C12H13Cl2N3
SMILES
C1CCC(C1)N2C3=CC(=C(C=C3N=C2N)Cl)Cl
InChI
InChI=1S/C12H13Cl2N3/c13-8-5-10-11(6-9(8)14)17(12(15)16-10)7-3-1-2-4-7/h5-7H,1-4H2,(H2,15,16)
InChIKey
BONPQLSMVSHFLI-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

269.04865 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05593 161.1
[M+Na]+ 292.03787 172.6
[M-H]- 268.04137 165.6
[M+NH4]+ 287.08247 180.6
[M+K]+ 308.01181 165.5
[M+H-H2O]+ 252.04591 154.0
[M+HCOO]- 314.04685 173.8
[M+CH3COO]- 328.06250 173.2
[M+Na-2H]- 290.02332 161.5
[M]+ 269.04810 162.3
[M]- 269.04920 162.3
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

No patent data available for this compound.