CID 46886230

Chembl1093874

Structural Information

Molecular Formula
C22H24F3N5O
SMILES
CN1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3C)C=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H24F3N5O/c1-28-9-11-30(12-10-28)14-20(31)26-17-6-3-15(4-7-17)21-27-18-13-16(22(23,24)25)5-8-19(18)29(21)2/h3-8,13H,9-12,14H2,1-2H3,(H,26,31)
InChIKey
CIVZFJQGEPBXRU-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.1933 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20058 205.3
[M+Na]+ 454.18252 213.0
[M-H]- 430.18602 207.0
[M+NH4]+ 449.22712 211.9
[M+K]+ 470.15646 205.1
[M+H-H2O]+ 414.19056 191.1
[M+HCOO]- 476.19150 215.8
[M+CH3COO]- 490.20715 211.8
[M+Na-2H]- 452.16797 204.5
[M]+ 431.19275 200.9
[M]- 431.19385 200.9
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.