CID 43114472

5-chloro-2-(piperidin-2-yl)-1h-1,3-benzodiazole hydrochloride

Structural Information

Molecular Formula
C12H14ClN3
SMILES
C1CCNC(C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C12H14ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2,(H,15,16)
InChIKey
WKAVCCNOWLMUFI-UHFFFAOYSA-N
Compound name
6-chloro-2-piperidin-2-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08763 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 151.6
[M+Na]+ 258.07685 160.1
[M-H]- 234.08035 152.0
[M+NH4]+ 253.12145 167.4
[M+K]+ 274.05079 152.6
[M+H-H2O]+ 218.08489 143.1
[M+HCOO]- 280.08583 162.6
[M+CH3COO]- 294.10148 162.0
[M+Na-2H]- 256.06230 155.8
[M]+ 235.08708 147.2
[M]- 235.08818 147.2
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.