CID 25218856

4-methyl-2-piperidin-3-yl-1h-benzimidazole dihydrochloride

Structural Information

Molecular Formula
C13H17N3
SMILES
CC1=C2C(=CC=C1)NC(=N2)C3CCCNC3
InChI
InChI=1S/C13H17N3/c1-9-4-2-6-11-12(9)16-13(15-11)10-5-3-7-14-8-10/h2,4,6,10,14H,3,5,7-8H2,1H3,(H,15,16)
InChIKey
JHOBRCDZOVISOK-UHFFFAOYSA-N
Compound name
4-methyl-2-piperidin-3-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

215.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.7
[M+Na]+ 238.131458 157.2
[M-H]- 214.134964 150.3
[M+NH4]+ 233.176063 165.6
[M+K]+ 254.105398 151.0
[M+H-H2O]+ 198.139500 141.0
[M+HCOO]- 260.140441 165.1
[M+CH3COO]- 274.156091 160.2
[M+Na-2H]- 236.116906 154.0
[M]+ 215.14169142 143.8
[M]- 215.14278858 143.8
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

patents stripe