CID 42600435

Chembl471572

Structural Information

Molecular Formula
C15H19Cl2N3
SMILES
CC(C)NC1=NC2=CC(=C(C=C2N1C3CCCC3)Cl)Cl
InChI
InChI=1S/C15H19Cl2N3/c1-9(2)18-15-19-13-7-11(16)12(17)8-14(13)20(15)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3,(H,18,19)
InChIKey
PBEPQAXWDKVQOU-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentyl-N-propan-2-ylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.0956 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10288 174.5
[M+Na]+ 334.08482 184.3
[M-H]- 310.08832 179.1
[M+NH4]+ 329.12942 192.5
[M+K]+ 350.05876 177.4
[M+H-H2O]+ 294.09286 166.9
[M+HCOO]- 356.09380 185.8
[M+CH3COO]- 370.10945 185.4
[M+Na-2H]- 332.07027 173.2
[M]+ 311.09505 177.2
[M]- 311.09615 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.