CID 83421108

2-[1-(piperidin-4-yl)-1h-1,3-benzodiazol-2-yl]ethan-1-amine

Structural Information

Molecular Formula
C14H20N4
SMILES
C1CNCCC1N2C3=CC=CC=C3N=C2CCN
InChI
InChI=1S/C14H20N4/c15-8-5-14-17-12-3-1-2-4-13(12)18(14)11-6-9-16-10-7-11/h1-4,11,16H,5-10,15H2
InChIKey
GUWNTJBFQBQTDX-UHFFFAOYSA-N
Compound name
2-(1-piperidin-4-ylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17608 156.6
[M+Na]+ 267.15802 163.2
[M-H]- 243.16152 157.9
[M+NH4]+ 262.20262 171.4
[M+K]+ 283.13196 157.2
[M+H-H2O]+ 227.16606 147.1
[M+HCOO]- 289.16700 173.7
[M+CH3COO]- 303.18265 166.6
[M+Na-2H]- 265.14347 160.6
[M]+ 244.16825 151.3
[M]- 244.16935 151.3
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.