CID 63636513

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

Structural Information

Molecular Formula
C15H16N4
SMILES
C1=CC=C2C(=C1)N=C(N2CC3=CC=NC=C3)CCN
InChI
InChI=1S/C15H16N4/c16-8-5-15-18-13-3-1-2-4-14(13)19(15)11-12-6-9-17-10-7-12/h1-4,6-7,9-10H,5,8,11,16H2
InChIKey
KYUVMYYAQDDQDA-UHFFFAOYSA-N
Compound name
2-[1-(pyridin-4-ylmethyl)benzimidazol-2-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.1375 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.144776 157.2
[M+Na]+ 275.126718 166.9
[M-H]- 251.130224 160.9
[M+NH4]+ 270.171323 172.7
[M+K]+ 291.100658 160.8
[M+H-H2O]+ 235.134760 147.5
[M+HCOO]- 297.135701 179.8
[M+CH3COO]- 311.151351 169.1
[M+Na-2H]- 273.112166 164.2
[M]+ 252.13695142 158.3
[M]- 252.13804858 158.3
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.