CID 5279688

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

Structural Information

Molecular Formula
C17H20N4O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCO
InChI
InChI=1S/C17H20N4O2/c1-12-7-8-16(23)14(19-12)11-21-15-6-3-2-5-13(15)20-17(21)18-9-4-10-22/h2-3,5-8,22-23H,4,9-11H2,1H3,(H,18,20)
InChIKey
WKDPFYRODGEVEO-UHFFFAOYSA-N
Compound name
2-[[2-(3-hydroxypropylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.15863 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.16591 173.3
[M+Na]+ 335.14785 182.6
[M-H]- 311.15135 175.4
[M+NH4]+ 330.19245 185.6
[M+K]+ 351.12179 176.1
[M+H-H2O]+ 295.15589 164.0
[M+HCOO]- 357.15683 193.1
[M+CH3COO]- 371.17248 183.6
[M+Na-2H]- 333.13330 178.0
[M]+ 312.15808 176.0
[M]- 312.15918 176.0
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.