CID 5279659

Chembl243557

Structural Information

Molecular Formula
C24H34N6O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NCCCN4CCN(CC4)C)C)C
InChI
InChI=1S/C24H34N6O/c1-17-14-18(2)23-21(15-17)30(16-20-22(31)7-6-19(3)26-20)24(27-23)25-8-5-9-29-12-10-28(4)11-13-29/h6-7,14-15,31H,5,8-13,16H2,1-4H3,(H,25,27)
InChIKey
NYAUHAGMNCZGIO-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

422.27942 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.286696 211.4
[M+Na]+ 445.268638 218.9
[M-H]- 421.272144 214.4
[M+NH4]+ 440.313243 217.0
[M+K]+ 461.242578 210.4
[M+H-H2O]+ 405.276680 198.8
[M+HCOO]- 467.277621 223.9
[M+CH3COO]- 481.293271 217.8
[M+Na-2H]- 443.254086 209.4
[M]+ 422.27887142 212.1
[M]- 422.27996858 212.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.