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]+ 341.197176 182.1
[M+Na]+ 363.179118 190.4
[M-H]- 339.182624 183.7
[M+NH4]+ 358.223723 193.1
[M+K]+ 379.153058 183.5
[M+H-H2O]+ 323.187160 172.3
[M+HCOO]- 385.188101 201.1
[M+CH3COO]- 399.203751 211.2
[M+Na-2H]- 361.164566 185.7
[M]+ 340.18935142 185.4
[M]- 340.19044858 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.