CID 5279671

2-[[4,6-dimethyl-2-(2-pyridylmethylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C22H23N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCC4=CC=CC=N4)C)C
InChI
InChI=1S/C22H23N5O/c1-14-10-15(2)21-19(11-14)27(13-18-20(28)8-7-16(3)25-18)22(26-21)24-12-17-6-4-5-9-23-17/h4-11,28H,12-13H2,1-3H3,(H,24,26)
InChIKey
LGXUTXRDTITONO-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-(pyridin-2-ylmethylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.19025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.19753 194.0
[M+Na]+ 396.17947 204.6
[M-H]- 372.18297 199.6
[M+NH4]+ 391.22407 203.0
[M+K]+ 412.15341 196.2
[M+H-H2O]+ 356.18751 182.5
[M+HCOO]- 418.18845 212.9
[M+CH3COO]- 432.20410 203.5
[M+Na-2H]- 394.16492 196.9
[M]+ 373.18970 197.4
[M]- 373.19080 197.4
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.