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]+ 236.094906 151.6
[M+Na]+ 258.076848 160.1
[M-H]- 234.080354 152.0
[M+NH4]+ 253.121453 167.4
[M+K]+ 274.050788 152.6
[M+H-H2O]+ 218.084890 143.1
[M+HCOO]- 280.085831 162.6
[M+CH3COO]- 294.101481 162.0
[M+Na-2H]- 256.062296 155.8
[M]+ 235.08708142 147.2
[M]- 235.08817858 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.