CID 126582741

Neo2734

Structural Information

Molecular Formula
C22H24F3N3O3
SMILES
CC1=CC(=CN(C1=O)C)C2=CC3=C(C=C2)N=C(N3CCOC(F)(F)F)C4CCOCC4
InChI
InChI=1S/C22H24F3N3O3/c1-14-11-17(13-27(2)21(14)29)16-3-4-18-19(12-16)28(7-10-31-22(23,24)25)20(26-18)15-5-8-30-9-6-15/h3-4,11-13,15H,5-10H2,1-2H3
InChIKey
KPWWFNXRLAAREN-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

24
Patents

435.17697 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18425 206.1
[M+Na]+ 458.16619 217.1
[M+NH4]+ 453.21079 209.4
[M+K]+ 474.14013 212.5
[M-H]- 434.16969 206.2
[M+Na-2H]- 456.15164 209.1
[M]+ 435.17642 207.5
[M]- 435.17752 207.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe