CID 46886228

Chembl1091953

Structural Information

Molecular Formula
C21H21F3N4O2
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CC=C(C=C3)NC(=O)CN4CCOCC4
InChI
InChI=1S/C21H21F3N4O2/c1-27-18-7-4-15(21(22,23)24)12-17(18)26-20(27)14-2-5-16(6-3-14)25-19(29)13-28-8-10-30-11-9-28/h2-7,12H,8-11,13H2,1H3,(H,25,29)
InChIKey
LKILHHZOFPJMLJ-UHFFFAOYSA-N
Compound name
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.16165 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16893 199.1
[M+Na]+ 441.15087 206.5
[M-H]- 417.15437 202.5
[M+NH4]+ 436.19547 206.0
[M+K]+ 457.12481 200.6
[M+H-H2O]+ 401.15891 185.6
[M+HCOO]- 463.15985 210.7
[M+CH3COO]- 477.17550 206.4
[M+Na-2H]- 439.13632 199.9
[M]+ 418.16110 195.4
[M]- 418.16220 195.4
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.