CID 5279687

2-[[2-(5-hydroxypentylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCCCCO
InChI
InChI=1S/C19H24N4O2/c1-14-9-10-18(25)16(21-14)13-23-17-8-4-3-7-15(17)22-19(23)20-11-5-2-6-12-24/h3-4,7-10,24-25H,2,5-6,11-13H2,1H3,(H,20,22)
InChIKey
CKGSUUMAOXEHNO-UHFFFAOYSA-N
Compound name
2-[[2-(5-hydroxypentylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.19718 182.1
[M+Na]+ 363.17912 190.4
[M-H]- 339.18262 183.7
[M+NH4]+ 358.22372 193.1
[M+K]+ 379.15306 183.5
[M+H-H2O]+ 323.18716 172.3
[M+HCOO]- 385.18810 201.1
[M+CH3COO]- 399.20375 211.2
[M+Na-2H]- 361.16457 185.7
[M]+ 340.18935 185.4
[M]- 340.19045 185.4
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.