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]+ 313.165906 173.3
[M+Na]+ 335.147848 182.6
[M-H]- 311.151354 175.4
[M+NH4]+ 330.192453 185.6
[M+K]+ 351.121788 176.1
[M+H-H2O]+ 295.155890 164.0
[M+HCOO]- 357.156831 193.1
[M+CH3COO]- 371.172481 183.6
[M+Na-2H]- 333.133296 178.0
[M]+ 312.15808142 176.0
[M]- 312.15917858 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.