CID 504480

Chembl58797

Structural Information

Molecular Formula
C21H16F3N3O
SMILES
COC1=C(C(=CC=C1)F)C2=NC3=C(C=CC=C3N2CC4=C(C=CC=C4F)F)N
InChI
InChI=1S/C21H16F3N3O/c1-28-18-10-3-7-15(24)19(18)21-26-20-16(25)8-4-9-17(20)27(21)11-12-13(22)5-2-6-14(12)23/h2-10H,11,25H2,1H3
InChIKey
SEXSDQQECYGMHA-UHFFFAOYSA-N
Compound name
1-[(2,6-difluorophenyl)methyl]-2-(2-fluoro-6-methoxyphenyl)benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

383.12454 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.13182 190.4
[M+Na]+ 406.11376 203.1
[M-H]- 382.11726 195.9
[M+NH4]+ 401.15836 202.3
[M+K]+ 422.08770 194.4
[M+H-H2O]+ 366.12180 177.5
[M+HCOO]- 428.12274 210.0
[M+CH3COO]- 442.13839 200.8
[M+Na-2H]- 404.09921 190.5
[M]+ 383.12399 190.8
[M]- 383.12509 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

patents stripe