CID 492675

Chembl293984

Structural Information

Molecular Formula
C20H13F4N3
SMILES
C1=CC(=C2C(=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)N
InChI
InChI=1S/C20H13F4N3/c21-12-4-1-5-13(22)11(12)10-27-17-9-3-8-16(25)19(17)26-20(27)18-14(23)6-2-7-15(18)24/h1-9H,10,25H2
InChIKey
DVBVMVZJNSPCMP-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

371.10455 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11183 185.5
[M+Na]+ 394.09377 199.0
[M-H]- 370.09727 189.8
[M+NH4]+ 389.13837 197.9
[M+K]+ 410.06771 189.3
[M+H-H2O]+ 354.10181 172.0
[M+HCOO]- 416.10275 204.3
[M+CH3COO]- 430.11840 195.9
[M+Na-2H]- 392.07922 185.5
[M]+ 371.10400 183.2
[M]- 371.10510 183.2
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