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

literature stripe

Patent stripe

patents stripe