CID 63637026

2-{1-[2-(pyridin-2-yl)ethyl]-1h-1,3-benzodiazol-2-yl}ethan-1-amine

Structural Information

Molecular Formula
C16H18N4
SMILES
C1=CC=C2C(=C1)N=C(N2CCC3=CC=CC=N3)CCN
InChI
InChI=1S/C16H18N4/c17-10-8-16-19-14-6-1-2-7-15(14)20(16)12-9-13-5-3-4-11-18-13/h1-7,11H,8-10,12,17H2
InChIKey
SLHSVHVFDKDHBY-UHFFFAOYSA-N
Compound name
2-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.15314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.16042 161.7
[M+Na]+ 289.14236 170.9
[M-H]- 265.14586 165.2
[M+NH4]+ 284.18696 176.6
[M+K]+ 305.11630 164.6
[M+H-H2O]+ 249.15040 151.7
[M+HCOO]- 311.15134 183.9
[M+CH3COO]- 325.16699 173.2
[M+Na-2H]- 287.12781 168.2
[M]+ 266.15259 163.1
[M]- 266.15369 163.1
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.