CID 492685

Chembl59448

Structural Information

Molecular Formula
C21H15F4N3
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)CN
InChI
InChI=1S/C21H15F4N3/c22-14-5-2-6-15(23)13(14)11-28-18-9-1-4-12(10-26)20(18)27-21(28)19-16(24)7-3-8-17(19)25/h1-9H,10-11,26H2
InChIKey
CYWIXOJNNLFDHI-UHFFFAOYSA-N
Compound name
[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

385.1202 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12748 190.1
[M+Na]+ 408.10942 203.1
[M-H]- 384.11292 194.2
[M+NH4]+ 403.15402 201.9
[M+K]+ 424.08336 193.2
[M+H-H2O]+ 368.11746 176.4
[M+HCOO]- 430.11840 208.5
[M+CH3COO]- 444.13405 200.0
[M+Na-2H]- 406.09487 189.6
[M]+ 385.11965 188.1
[M]- 385.12075 188.1
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