CID 6481590

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

Structural Information

Molecular Formula
C25H35N5O2
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CCCCO)C)C
InChI
InChI=1S/C25H35N5O2/c1-17-14-18(2)24-22(15-17)30(16-21-23(32)7-6-19(3)26-21)25(28-24)27-20-8-11-29(12-9-20)10-4-5-13-31/h6-7,14-15,20,31-32H,4-5,8-13,16H2,1-3H3,(H,27,28)
InChIKey
AOTGYSTWNCDVJJ-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(4-hydroxybutyl)piperidin-4-yl]amino]-4,6-dimethylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.27908 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.28636 212.9
[M+Na]+ 460.26830 219.2
[M-H]- 436.27180 215.8
[M+NH4]+ 455.31290 218.4
[M+K]+ 476.24224 210.9
[M+H-H2O]+ 420.27634 201.1
[M+HCOO]- 482.27728 225.2
[M+CH3COO]- 496.29293 218.9
[M+Na-2H]- 458.25375 210.3
[M]+ 437.27853 213.0
[M]- 437.27963 213.0
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.