CID 155973163

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

Structural Information

Molecular Formula
C14H14N4
SMILES
C1=CC(=C2C(=C1)NC(=N2)CCN)C3=CN=CC=C3
InChI
InChI=1S/C14H14N4/c15-7-6-13-17-12-5-1-4-11(14(12)18-13)10-3-2-8-16-9-10/h1-5,8-9H,6-7,15H2,(H,17,18)
InChIKey
UVAMSFVVSFRHCN-UHFFFAOYSA-N
Compound name
2-(4-pyridin-3-yl-1H-benzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.129116 152.7
[M+Na]+ 261.111058 162.4
[M-H]- 237.114564 155.2
[M+NH4]+ 256.155663 168.0
[M+K]+ 277.084998 155.7
[M+H-H2O]+ 221.119100 143.5
[M+HCOO]- 283.120041 174.1
[M+CH3COO]- 297.135691 164.4
[M+Na-2H]- 259.096506 159.9
[M]+ 238.12129142 151.7
[M]- 238.12238858 151.7
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.