CID 46886442

Chembl1091653

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
COC1=C(C(=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(F)(F)F)OC)OC
InChI
InChI=1S/C17H15F3N2O3/c1-23-13-7-5-10(14(24-2)15(13)25-3)16-21-11-6-4-9(17(18,19)20)8-12(11)22-16/h4-8H,1-3H3,(H,21,22)
InChIKey
AVNPAHISDZUTSF-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)-2-(2,3,4-trimethoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.1035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11078 179.2
[M+Na]+ 375.09272 191.1
[M-H]- 351.09622 180.5
[M+NH4]+ 370.13732 192.3
[M+K]+ 391.06666 185.5
[M+H-H2O]+ 335.10076 168.5
[M+HCOO]- 397.10170 195.9
[M+CH3COO]- 411.11735 210.9
[M+Na-2H]- 373.07817 181.9
[M]+ 352.10295 181.8
[M]- 352.10405 181.8
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.