CID 46886206

Chembl1090902

Structural Information

Molecular Formula
C21H21F3N4O
SMILES
CN1C2=C(C=C(C=C2)C(F)(F)F)N=C1C3=CC=C(C=C3)NC(=O)CN4CCCC4
InChI
InChI=1S/C21H21F3N4O/c1-27-18-9-6-15(21(22,23)24)12-17(18)26-20(27)14-4-7-16(8-5-14)25-19(29)13-28-10-2-3-11-28/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,29)
InChIKey
VOAPGYLKNBGGLF-UHFFFAOYSA-N
Compound name
N-[4-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]phenyl]-2-pyrrolidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.16675 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17403 193.5
[M+Na]+ 425.15597 201.6
[M-H]- 401.15947 197.4
[M+NH4]+ 420.20057 204.6
[M+K]+ 441.12991 194.7
[M+H-H2O]+ 385.16401 181.2
[M+HCOO]- 447.16495 208.4
[M+CH3COO]- 461.18060 202.0
[M+Na-2H]- 423.14142 192.3
[M]+ 402.16620 190.5
[M]- 402.16730 190.5
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.