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

5
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 144.2
[M+Na]+ 224.11582 151.6
[M-H]- 200.11932 146.0
[M+NH4]+ 219.16042 161.1
[M+K]+ 240.08976 146.6
[M+H-H2O]+ 184.12386 135.1
[M+HCOO]- 246.12480 161.5
[M+CH3COO]- 260.14045 155.5
[M+Na-2H]- 222.10127 150.2
[M]+ 201.12605 139.4
[M]- 201.12715 139.4
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