CID 6481594

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

Structural Information

Molecular Formula
C24H30F3N5O
SMILES
CC1=NC(=C(C=C1)O)CN2C3=CC(=CC(=C3N=C2NC4CCN(CC4)CCC(F)(F)F)C)C
InChI
InChI=1S/C24H30F3N5O/c1-15-12-16(2)22-20(13-15)32(14-19-21(33)5-4-17(3)28-19)23(30-22)29-18-6-9-31(10-7-18)11-8-24(25,26)27/h4-5,12-13,18,33H,6-11,14H2,1-3H3,(H,29,30)
InChIKey
VFHWMEWEYOIPQO-UHFFFAOYSA-N
Compound name
2-[[4,6-dimethyl-2-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.24023 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.24751 217.2
[M+Na]+ 484.22945 225.3
[M-H]- 460.23295 217.8
[M+NH4]+ 479.27405 222.6
[M+K]+ 500.20339 216.2
[M+H-H2O]+ 444.23749 203.2
[M+HCOO]- 506.23843 226.2
[M+CH3COO]- 520.25408 237.3
[M+Na-2H]- 482.21490 214.4
[M]+ 461.23968 213.8
[M]- 461.24078 213.8
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.