CID 45073808

1-(piperidin-3-yl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CC(CNC1)N2C=NC3=CC=CC=C32
InChI
InChI=1S/C12H15N3/c1-2-6-12-11(5-1)14-9-15(12)10-4-3-7-13-8-10/h1-2,5-6,9-10,13H,3-4,7-8H2
InChIKey
JUMOLFANWQYULP-UHFFFAOYSA-N
Compound name
1-piperidin-3-ylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.1266 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 145.1
[M+Na]+ 224.11582 158.8
[M+NH4]+ 219.16042 154.1
[M+K]+ 240.08976 152.9
[M-H]- 200.11932 148.1
[M+Na-2H]- 222.10127 152.8
[M]+ 201.12605 147.8
[M]- 201.12715 147.8
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

No patent data available for this compound.