CID 5279685

2-[[2-[2-(4-methoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCC4=CC=C(C=C4)OC
InChI
InChI=1S/C23H24N4O2/c1-16-7-12-22(28)20(25-16)15-27-21-6-4-3-5-19(21)26-23(27)24-14-13-17-8-10-18(29-2)11-9-17/h3-12,28H,13-15H2,1-2H3,(H,24,26)
InChIKey
QSDXYENCTCCYDD-UHFFFAOYSA-N
Compound name
2-[[2-[2-(4-methoxyphenyl)ethylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1899 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 195.1
[M+Na]+ 411.17912 204.0
[M-H]- 387.18262 201.4
[M+NH4]+ 406.22372 204.4
[M+K]+ 427.15306 196.5
[M+H-H2O]+ 371.18716 183.6
[M+HCOO]- 433.18810 215.2
[M+CH3COO]- 447.20375 204.4
[M+Na-2H]- 409.16457 198.5
[M]+ 388.18935 199.1
[M]- 388.19045 199.1
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.