CID 155973726

2-[4-(pyridin-4-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=CC=NC=C3
InChI
InChI=1S/C14H14N4/c15-7-4-13-17-12-3-1-2-11(14(12)18-13)10-5-8-16-9-6-10/h1-3,5-6,8-9H,4,7,15H2,(H,17,18)
InChIKey
LBGQDACEMVNHHI-UHFFFAOYSA-N
Compound name
2-(4-pyridin-4-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]+ 239.12912 152.7
[M+Na]+ 261.11106 162.4
[M-H]- 237.11456 155.2
[M+NH4]+ 256.15566 168.0
[M+K]+ 277.08500 155.7
[M+H-H2O]+ 221.11910 143.5
[M+HCOO]- 283.12004 174.1
[M+CH3COO]- 297.13569 164.4
[M+Na-2H]- 259.09651 159.9
[M]+ 238.12129 151.7
[M]- 238.12239 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.