CID 46886388

Chembl1095562

Structural Information

Molecular Formula
C21H23F3N4O
SMILES
CCN(CC)CC(=O)NC1=CC=C(C=C1)C2=NC3=C(N2C)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C21H23F3N4O/c1-4-28(5-2)13-19(29)25-16-9-6-14(7-10-16)20-26-17-12-15(21(22,23)24)8-11-18(17)27(20)3/h6-12H,4-5,13H2,1-3H3,(H,25,29)
InChIKey
ISYALFCXKMBMQG-UHFFFAOYSA-N
Compound name
2-(diethylamino)-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

404.1824 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18968 196.9
[M+Na]+ 427.17162 205.2
[M-H]- 403.17512 200.0
[M+NH4]+ 422.21622 208.3
[M+K]+ 443.14556 199.6
[M+H-H2O]+ 387.17966 184.6
[M+HCOO]- 449.18060 215.2
[M+CH3COO]- 463.19625 232.4
[M+Na-2H]- 425.15707 198.1
[M]+ 404.18185 198.1
[M]- 404.18295 198.1
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.