CID 46886174

Chembl1090901

Structural Information

Molecular Formula
C20H19F3N4O2
SMILES
C1COCCN1CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-6-16-17(11-14)26-19(25-16)13-1-4-15(5-2-13)24-18(28)12-27-7-9-29-10-8-27/h1-6,11H,7-10,12H2,(H,24,28)(H,25,26)
InChIKey
INSKVGRRZNXFHQ-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.146 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.15328 192.6
[M+Na]+ 427.13522 199.1
[M-H]- 403.13872 194.6
[M+NH4]+ 422.17982 199.1
[M+K]+ 443.10916 192.7
[M+H-H2O]+ 387.14326 179.5
[M+HCOO]- 449.14420 203.1
[M+CH3COO]- 463.15985 199.5
[M+Na-2H]- 425.12067 194.6
[M]+ 404.14545 186.5
[M]- 404.14655 186.5
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

No patent data available for this compound.