CID 3019746

84176-75-0

Structural Information

Molecular Formula
C19H21N3
SMILES
C1CN(CCC1N2C=NC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C19H21N3/c1-2-6-16(7-3-1)14-21-12-10-17(11-13-21)22-15-20-18-8-4-5-9-19(18)22/h1-9,15,17H,10-14H2
InChIKey
KYMRBSIZQUQJLF-UHFFFAOYSA-N
Compound name
1-(1-benzylpiperidin-4-yl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

291.17355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.180826 169.7
[M+Na]+ 314.162768 176.5
[M-H]- 290.166274 175.4
[M+NH4]+ 309.207373 183.0
[M+K]+ 330.136708 169.7
[M+H-H2O]+ 274.170810 158.2
[M+HCOO]- 336.171751 187.1
[M+CH3COO]- 350.187401 179.6
[M+Na-2H]- 312.148216 173.6
[M]+ 291.17300142 166.5
[M]- 291.17409858 166.5
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