CID 5279728

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

Structural Information

Molecular Formula
C29H35N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(CC4=CC=CC=C4)O)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C29H35N5O2/c1-20-7-6-10-26-28(20)32-29(34(26)19-25-27(36)12-11-21(2)30-25)31-23-13-15-33(16-14-23)18-24(35)17-22-8-4-3-5-9-22/h3-12,23-24,35-36H,13-19H2,1-2H3,(H,31,32)
InChIKey
JHDYNZNPAPSIBQ-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-hydroxy-3-phenylpropyl)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

485.27908 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.28636 220.7
[M+Na]+ 508.26830 224.9
[M-H]- 484.27180 226.2
[M+NH4]+ 503.31290 223.0
[M+K]+ 524.24224 216.1
[M+H-H2O]+ 468.27634 207.3
[M+HCOO]- 530.27728 231.7
[M+CH3COO]- 544.29293 225.4
[M+Na-2H]- 506.25375 218.4
[M]+ 485.27853 218.4
[M]- 485.27963 218.4
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.