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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.