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

4
Patents

266.15314 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.160416 161.7
[M+Na]+ 289.142358 170.9
[M-H]- 265.145864 165.2
[M+NH4]+ 284.186963 176.6
[M+K]+ 305.116298 164.6
[M+H-H2O]+ 249.150400 151.7
[M+HCOO]- 311.151341 183.9
[M+CH3COO]- 325.166991 173.2
[M+Na-2H]- 287.127806 168.2
[M]+ 266.15259142 163.1
[M]- 266.15368858 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

patents stripe