CID 42600686

Chembl475557

Structural Information

Molecular Formula
C22H18Cl2N2
SMILES
C1CCC(C1)N2C3=CC(=C(C=C3N=C2C4=CC5=CC=CC=C5C=C4)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2/c23-18-12-20-21(13-19(18)24)26(17-7-3-4-8-17)22(25-20)16-10-9-14-5-1-2-6-15(14)11-16/h1-2,5-6,9-13,17H,3-4,7-8H2
InChIKey
YVRTWNGKMRQURQ-UHFFFAOYSA-N
Compound name
5,6-dichloro-1-cyclopentyl-2-naphthalen-2-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.08472 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.09200 193.0
[M+Na]+ 403.07394 204.6
[M-H]- 379.07744 201.4
[M+NH4]+ 398.11854 209.0
[M+K]+ 419.04788 194.8
[M+H-H2O]+ 363.08198 183.3
[M+HCOO]- 425.08292 202.8
[M+CH3COO]- 439.09857 203.3
[M+Na-2H]- 401.05939 191.7
[M]+ 380.08417 196.3
[M]- 380.08527 196.3
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.