CID 46886152

Chembl1093492

Structural Information

Molecular Formula
C20H19F3N4O
SMILES
C1CCN(C1)CC(=O)NC2=CC=C(C=C2)C3=NC4=C(N3)C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C20H19F3N4O/c21-20(22,23)14-5-8-16-17(11-14)26-19(25-16)13-3-6-15(7-4-13)24-18(28)12-27-9-1-2-10-27/h3-8,11H,1-2,9-10,12H2,(H,24,28)(H,25,26)
InChIKey
TURBNQICVXMJGS-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-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

388.1511 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15838 187.4
[M+Na]+ 411.14032 194.6
[M-H]- 387.14382 189.7
[M+NH4]+ 406.18492 198.1
[M+K]+ 427.11426 187.2
[M+H-H2O]+ 371.14836 175.3
[M+HCOO]- 433.14930 201.2
[M+CH3COO]- 447.16495 195.4
[M+Na-2H]- 409.12577 187.2
[M]+ 388.15055 181.9
[M]- 388.15165 181.9
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.