CID 5279696

3-pyridinol, 6-methyl-2-[[2-[[2-(2-pyridinyl)ethyl]amino]-1h-benzimidazol-1-yl]methyl]-

Structural Information

Molecular Formula
C21H21N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC=CC=C3N=C2NCCC4=CC=CC=N4
InChI
InChI=1S/C21H21N5O/c1-15-9-10-20(27)18(24-15)14-26-19-8-3-2-7-17(19)25-21(26)23-13-11-16-6-4-5-12-22-16/h2-10,12,27H,11,13-14H2,1H3,(H,23,25)
InChIKey
LEIXKGCWGLNVNA-UHFFFAOYSA-N
Compound name
6-methyl-2-[[2-(2-pyridin-2-ylethylamino)benzimidazol-1-yl]methyl]pyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.17462 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.181896 186.8
[M+Na]+ 382.163838 196.0
[M-H]- 358.167344 191.7
[M+NH4]+ 377.208443 195.7
[M+K]+ 398.137778 187.7
[M+H-H2O]+ 342.171880 174.9
[M+HCOO]- 404.172821 206.1
[M+CH3COO]- 418.188471 196.1
[M+Na-2H]- 380.149286 191.9
[M]+ 359.17407142 188.9
[M]- 359.17516858 188.9
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.