CID 6481596

2-[[4,6-dimethyl-2-[[1-[2-(2-pyridyl)ethyl]-4-piperidyl]amino]benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C28H34N6O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CCC5=CC=CC=N5)C)C
InChI
InChI=1S/C28H34N6O/c1-19-16-20(2)27-25(17-19)34(18-24-26(35)8-7-21(3)30-24)28(32-27)31-23-10-14-33(15-11-23)13-9-22-6-4-5-12-29-22/h4-8,12,16-17,23,35H,9-11,13-15,18H2,1-3H3,(H,31,32)
InChIKey
NJLMOZZDFFSILL-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-[[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.27942 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.28670 221.6
[M+Na]+ 493.26864 228.3
[M-H]- 469.27214 227.4
[M+NH4]+ 488.31324 224.3
[M+K]+ 509.24258 218.3
[M+H-H2O]+ 453.27668 207.3
[M+HCOO]- 515.27762 233.7
[M+CH3COO]- 529.29327 227.0
[M+Na-2H]- 491.25409 219.8
[M]+ 470.27887 220.7
[M]- 470.27997 220.7
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.