CID 508378

5,6-dichloro-2-(piperidin-4-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C12H13Cl2N3
SMILES
C1CNCCC1C2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C12H13Cl2N3/c13-8-5-10-11(6-9(8)14)17-12(16-10)7-1-3-15-4-2-7/h5-7,15H,1-4H2,(H,16,17)
InChIKey
RLULJFAFKCOCFR-UHFFFAOYSA-N
Compound name
5,6-dichloro-2-piperidin-4-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

269.04865 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.05593 157.9
[M+Na]+ 292.03787 167.6
[M-H]- 268.04137 157.8
[M+NH4]+ 287.08247 173.0
[M+K]+ 308.01181 159.2
[M+H-H2O]+ 252.04591 149.9
[M+HCOO]- 314.04685 163.6
[M+CH3COO]- 328.06250 167.8
[M+Na-2H]- 290.02332 160.5
[M]+ 269.04810 155.0
[M]- 269.04920 155.0
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