CID 5279723

1-[4-[[1-[(3-hydroxy-6-methyl-2-pyridyl)methyl]-4-methyl-benzimidazol-2-yl]amino]-1-piperidyl]-3,3-dimethyl-butan-2-one

Structural Information

Molecular Formula
C26H35N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(=O)C(C)(C)C)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C26H35N5O2/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/h6-10,19,32H,11-16H2,1-5H3,(H,28,29)
InChIKey
FXSBNGORLCSAPY-UHFFFAOYSA-N
Compound name
1-[4-[[1-[(3-hydroxy-6-methylpyridin-2-yl)methyl]-4-methylbenzimidazol-2-yl]amino]piperidin-1-yl]-3,3-dimethylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.27908 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.28636 216.8
[M+Na]+ 472.26830 222.5
[M-H]- 448.27180 221.0
[M+NH4]+ 467.31290 222.2
[M+K]+ 488.24224 215.5
[M+H-H2O]+ 432.27634 205.4
[M+HCOO]- 494.27728 227.8
[M+CH3COO]- 508.29293 236.5
[M+Na-2H]- 470.25375 215.0
[M]+ 449.27853 216.8
[M]- 449.27963 216.8
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.