CID 5279699

2-[[2-[2-(2-hydroxyethoxy)ethylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C18H22N4O3
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCOCCO
InChI
InChI=1S/C18H22N4O3/c1-13-6-7-17(24)15(20-13)12-22-16-5-3-2-4-14(16)21-18(22)19-8-10-25-11-9-23/h2-7,23-24H,8-12H2,1H3,(H,19,21)
InChIKey
NDZMGQWUEOOMBW-UHFFFAOYSA-N
Compound name
2-[[2-[2-(2-hydroxyethoxy)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1692 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17648 180.1
[M+Na]+ 365.15842 188.6
[M-H]- 341.16192 181.9
[M+NH4]+ 360.20302 190.9
[M+K]+ 381.13236 182.6
[M+H-H2O]+ 325.16646 170.3
[M+HCOO]- 387.16740 199.6
[M+CH3COO]- 401.18305 210.4
[M+Na-2H]- 363.14387 184.4
[M]+ 342.16865 184.5
[M]- 342.16975 184.5
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.