CID 5279712

2-[[2-[[1-[1-(hydroxymethyl)propyl]-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C24H33N5O2
SMILES
CCC(CO)N1CCC(CC1)NC2=NC3=C(C=CC=C3N2CC4=C(C=CC(=N4)C)O)C
InChI
InChI=1S/C24H33N5O2/c1-4-19(15-30)28-12-10-18(11-13-28)26-24-27-23-16(2)6-5-7-21(23)29(24)14-20-22(31)9-8-17(3)25-20/h5-9,18-19,30-31H,4,10-15H2,1-3H3,(H,26,27)
InChIKey
ZBEHPKNJHHXRDP-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(1-hydroxybutan-2-yl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.26343 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.27071 207.2
[M+Na]+ 446.25265 212.7
[M-H]- 422.25615 210.0
[M+NH4]+ 441.29725 213.0
[M+K]+ 462.22659 205.3
[M+H-H2O]+ 406.26069 195.6
[M+HCOO]- 468.26163 218.9
[M+CH3COO]- 482.27728 213.3
[M+Na-2H]- 444.23810 205.0
[M]+ 423.26288 206.1
[M]- 423.26398 206.1
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.