CID 5279708

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

Structural Information

Molecular Formula
C29H41N5O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCC4CCCCCC4)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C29H41N5O/c1-21-8-7-11-26-28(21)32-29(34(26)20-25-27(35)13-12-22(2)30-25)31-24-15-18-33(19-16-24)17-14-23-9-5-3-4-6-10-23/h7-8,11-13,23-24,35H,3-6,9-10,14-20H2,1-2H3,(H,31,32)
InChIKey
NJODJTHOKYPYRE-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-cycloheptylethyl)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

475.33112 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.33840 224.5
[M+Na]+ 498.32034 226.9
[M-H]- 474.32384 231.2
[M+NH4]+ 493.36494 227.9
[M+K]+ 514.29428 222.3
[M+H-H2O]+ 458.32838 210.1
[M+HCOO]- 520.32932 233.7
[M+CH3COO]- 534.34497 228.4
[M+Na-2H]- 496.30579 219.6
[M]+ 475.33057 216.4
[M]- 475.33167 216.4
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.