CID 46886151

Chembl1093233

Structural Information

Molecular Formula
C20H21F3N4O
SMILES
CCN(CC)CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H21F3N4O/c1-3-27(4-2)12-18(28)24-15-8-5-13(6-9-15)19-25-16-10-7-14(20(21,22)23)11-17(16)26-19/h5-11H,3-4,12H2,1-2H3,(H,24,28)(H,25,26)
InChIKey
RDLLSVIVPNVKHZ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.16675 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17403 191.0
[M+Na]+ 413.15597 198.4
[M-H]- 389.15947 192.6
[M+NH4]+ 408.20057 202.0
[M+K]+ 429.12991 192.3
[M+H-H2O]+ 373.16401 179.1
[M+HCOO]- 435.16495 208.3
[M+CH3COO]- 449.18060 225.8
[M+Na-2H]- 411.14142 193.2
[M]+ 390.16620 189.7
[M]- 390.16730 189.7
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.