CID 5279726

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

Structural Information

Molecular Formula
C29H35N5O3
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(COC4=CC=CC=C4)O)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C29H35N5O3/c1-20-7-6-10-26-28(20)32-29(34(26)18-25-27(36)12-11-21(2)30-25)31-22-13-15-33(16-14-22)17-23(35)19-37-24-8-4-3-5-9-24/h3-12,22-23,35-36H,13-19H2,1-2H3,(H,31,32)
InChIKey
GNUSMNSCVRLOPL-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-hydroxy-3-phenoxypropyl)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

501.274 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.28128 222.7
[M+Na]+ 524.26322 226.5
[M-H]- 500.26672 228.1
[M+NH4]+ 519.30782 224.2
[M+K]+ 540.23716 218.5
[M+H-H2O]+ 484.27126 209.1
[M+HCOO]- 546.27220 233.7
[M+CH3COO]- 560.28785 227.2
[M+Na-2H]- 522.24867 220.6
[M]+ 501.27345 221.6
[M]- 501.27455 221.6
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.