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

20
Patents

215.14224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.7
[M+Na]+ 238.13146 157.2
[M-H]- 214.13496 150.3
[M+NH4]+ 233.17606 165.6
[M+K]+ 254.10540 151.0
[M+H-H2O]+ 198.13950 141.0
[M+HCOO]- 260.14044 165.1
[M+CH3COO]- 274.15609 160.2
[M+Na-2H]- 236.11691 154.0
[M]+ 215.14169 143.8
[M]- 215.14279 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