CID 5279737

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

Structural Information

Molecular Formula
C27H37N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC4(CCCCC4)O)CC5=C(C=CC(=N5)C)O
InChI
InChI=1S/C27H37N5O2/c1-19-7-6-8-23-25(19)30-26(32(23)17-22-24(33)10-9-20(2)28-22)29-21-11-15-31(16-12-21)18-27(34)13-4-3-5-14-27/h6-10,21,33-34H,3-5,11-18H2,1-2H3,(H,29,30)
InChIKey
HZIGDHVHGPTZGZ-UHFFFAOYSA-N
Compound name
2-[[2-[[1-[(1-hydroxycyclohexyl)methyl]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

463.29474 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.30202 215.8
[M+Na]+ 486.28396 219.7
[M-H]- 462.28746 220.6
[M+NH4]+ 481.32856 221.1
[M+K]+ 502.25790 211.5
[M+H-H2O]+ 446.29200 202.4
[M+HCOO]- 508.29294 224.4
[M+CH3COO]- 522.30859 220.4
[M+Na-2H]- 484.26941 213.5
[M]+ 463.29419 209.7
[M]- 463.29529 209.7
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.