CID 5279733

Chembl395242

Structural Information

Molecular Formula
C26H37N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(C(C)(C)C)O)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C26H37N5O2/c1-17-7-6-8-21-24(17)29-25(31(21)15-20-22(32)10-9-18(2)27-20)28-19-11-13-30(14-12-19)16-23(33)26(3,4)5/h6-10,19,23,32-33H,11-16H2,1-5H3,(H,28,29)
InChIKey
YPULKFFGNHVHJX-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-hydroxy-3,3-dimethylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.29474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.30202 217.3
[M+Na]+ 474.28396 222.2
[M-H]- 450.28746 220.2
[M+NH4]+ 469.32856 222.1
[M+K]+ 490.25790 215.2
[M+H-H2O]+ 434.29200 206.3
[M+HCOO]- 496.29294 226.6
[M+CH3COO]- 510.30859 235.0
[M+Na-2H]- 472.26941 215.2
[M]+ 451.29419 216.2
[M]- 451.29529 216.2
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.