CID 5279683

3-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]benzimidazol-2-yl]amino]propane-1,2-diol

Structural Information

Molecular Formula
C17H20N4O3
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCC(CO)O
InChI
InChI=1S/C17H20N4O3/c1-11-6-7-16(24)14(19-11)9-21-15-5-3-2-4-13(15)20-17(21)18-8-12(23)10-22/h2-7,12,22-24H,8-10H2,1H3,(H,18,20)
InChIKey
NPTNZDGGEONTIM-UHFFFAOYSA-N
Compound name
3-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]benzimidazol-2-yl]amino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15353 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16081 176.2
[M+Na]+ 351.14275 184.4
[M-H]- 327.14625 177.1
[M+NH4]+ 346.18735 186.8
[M+K]+ 367.11669 178.5
[M+H-H2O]+ 311.15079 167.2
[M+HCOO]- 373.15173 193.6
[M+CH3COO]- 387.16738 206.2
[M+Na-2H]- 349.12820 179.5
[M]+ 328.15298 177.9
[M]- 328.15408 177.9
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.