CID 492678

Chembl244144

Structural Information

Molecular Formula
C22H17F4N3
SMILES
CN(C)C1=CC=CC2=C1N=C(N2CC3=C(C=CC=C3F)F)C4=C(C=CC=C4F)F
InChI
InChI=1S/C22H17F4N3/c1-28(2)18-10-5-11-19-21(18)27-22(20-16(25)8-4-9-17(20)26)29(19)12-13-14(23)6-3-7-15(13)24/h3-11H,12H2,1-2H3
InChIKey
VADUTMQQVMHCAM-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-N,N-dimethylbenzimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

399.13586 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14314 194.6
[M+Na]+ 422.12508 207.1
[M-H]- 398.12858 200.3
[M+NH4]+ 417.16968 206.6
[M+K]+ 438.09902 198.7
[M+H-H2O]+ 382.13312 180.3
[M+HCOO]- 444.13406 213.6
[M+CH3COO]- 458.14971 204.8
[M+Na-2H]- 420.11053 193.7
[M]+ 399.13531 194.9
[M]- 399.13641 194.9
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