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]+ 360.18190 186.8
[M+Na]+ 382.16384 196.0
[M-H]- 358.16734 191.7
[M+NH4]+ 377.20844 195.7
[M+K]+ 398.13778 187.7
[M+H-H2O]+ 342.17188 174.9
[M+HCOO]- 404.17282 206.1
[M+CH3COO]- 418.18847 196.1
[M+Na-2H]- 380.14929 191.9
[M]+ 359.17407 188.9
[M]- 359.17517 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.