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]+ 423.28670 211.4
[M+Na]+ 445.26864 218.9
[M-H]- 421.27214 214.4
[M+NH4]+ 440.31324 217.0
[M+K]+ 461.24258 210.4
[M+H-H2O]+ 405.27668 198.8
[M+HCOO]- 467.27762 223.9
[M+CH3COO]- 481.29327 217.8
[M+Na-2H]- 443.25409 209.4
[M]+ 422.27887 212.1
[M]- 422.27997 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.