CID 46886302

Chembl1092703

Structural Information

Molecular Formula
C24H24F3N3
SMILES
C1C2CC3CC1CC(C2)(C3)N4C5=C(C=C(C=C5)C(F)(F)F)N=C4C6=CC=C(C=C6)N
InChI
InChI=1S/C24H24F3N3/c25-24(26,27)18-3-6-21-20(10-18)29-22(17-1-4-19(28)5-2-17)30(21)23-11-14-7-15(12-23)9-16(8-14)13-23/h1-6,10,14-16H,7-9,11-13,28H2
InChIKey
AFAJICOLCSMWIM-UHFFFAOYSA-N
Compound name
4-[1-(1-adamantyl)-5-(trifluoromethyl)benzimidazol-2-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.19223 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.19951 194.1
[M+Na]+ 434.18145 198.8
[M-H]- 410.18495 190.5
[M+NH4]+ 429.22605 210.8
[M+K]+ 450.15539 190.4
[M+H-H2O]+ 394.18949 179.9
[M+HCOO]- 456.19043 195.2
[M+CH3COO]- 470.20608 198.9
[M+Na-2H]- 432.16690 199.7
[M]+ 411.19168 190.8
[M]- 411.19278 190.8
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.