CID 492677

Chembl294604

Structural Information

Molecular Formula
C21H15F4N3
SMILES
CNC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C21H15F4N3/c1-26-17-9-4-10-18-20(17)27-21(19-15(24)7-3-8-16(19)25)28(18)11-12-13(22)5-2-6-14(12)23/h2-10,26H,11H2,1H3
InChIKey
UATDPISGFUQRMU-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N-methylbenzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

385.1202 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12748 189.5
[M+Na]+ 408.10942 202.5
[M-H]- 384.11292 194.1
[M+NH4]+ 403.15402 201.6
[M+K]+ 424.08336 192.9
[M+H-H2O]+ 368.11746 175.7
[M+HCOO]- 430.11840 208.5
[M+CH3COO]- 444.13405 199.7
[M+Na-2H]- 406.09487 189.9
[M]+ 385.11965 188.4
[M]- 385.12075 188.4
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.