CID 46886040

Chembl1089893

Structural Information

Molecular Formula
C20H18F3N3O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C20H18F3N3O2/c21-20(22,23)14-8-11-18-17(12-14)24-19(25(18)15-4-2-1-3-5-15)13-6-9-16(10-7-13)26(27)28/h6-12,15H,1-5H2
InChIKey
MWMGVDKBGJRNSO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(4-nitrophenyl)-5-(trifluoromethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.1351 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.14238 188.1
[M+Na]+ 412.12432 194.4
[M-H]- 388.12782 192.2
[M+NH4]+ 407.16892 198.1
[M+K]+ 428.09826 183.5
[M+H-H2O]+ 372.13236 179.7
[M+HCOO]- 434.13330 202.6
[M+CH3COO]- 448.14895 213.5
[M+Na-2H]- 410.10977 191.8
[M]+ 389.13455 180.7
[M]- 389.13565 180.7
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.