CID 5279722

2-[[2-[[1-(2-hydroxy-2-phenyl-ethyl)-4-piperidyl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Structural Information

Molecular Formula
C28H33N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(C4=CC=CC=C4)O)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C28H33N5O2/c1-19-7-6-10-24-27(19)31-28(33(24)17-23-25(34)12-11-20(2)29-23)30-22-13-15-32(16-14-22)18-26(35)21-8-4-3-5-9-21/h3-12,22,26,34-35H,13-18H2,1-2H3,(H,30,31)
InChIKey
RVHAEQDDKVOASD-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-hydroxy-2-phenylethyl)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

471.26343 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.27071 216.7
[M+Na]+ 494.25265 221.4
[M-H]- 470.25615 222.4
[M+NH4]+ 489.29725 219.6
[M+K]+ 510.22659 212.7
[M+H-H2O]+ 454.26069 203.5
[M+HCOO]- 516.26163 228.0
[M+CH3COO]- 530.27728 221.8
[M+Na-2H]- 492.23810 214.9
[M]+ 471.26288 214.1
[M]- 471.26398 214.1
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.