CID 46886299

Chembl1093876

Structural Information

Molecular Formula
C20H20F3N3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=C(C=C4)N
InChI
InChI=1S/C20H20F3N3/c21-20(22,23)14-8-11-18-17(12-14)25-19(13-6-9-15(24)10-7-13)26(18)16-4-2-1-3-5-16/h6-12,16H,1-5,24H2
InChIKey
JQAFMGFSNLCXDE-UHFFFAOYSA-N
Compound name
4-[1-cyclohexyl-5-(trifluoromethyl)benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.16092 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.16820 184.4
[M+Na]+ 382.15014 192.5
[M-H]- 358.15364 188.0
[M+NH4]+ 377.19474 196.5
[M+K]+ 398.12408 184.5
[M+H-H2O]+ 342.15818 171.8
[M+HCOO]- 404.15912 198.5
[M+CH3COO]- 418.17477 193.0
[M+Na-2H]- 380.13559 185.2
[M]+ 359.16037 176.9
[M]- 359.16147 176.9
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.