CID 492663

Chembl388051

Structural Information

Molecular Formula
C22H16F4N2
SMILES
CC1=C(C2=C(C=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F)C
InChI
InChI=1S/C22H16F4N2/c1-12-9-10-19-21(13(12)2)27-22(20-17(25)7-4-8-18(20)26)28(19)11-14-15(23)5-3-6-16(14)24/h3-10H,11H2,1-2H3
InChIKey
JZUMVWOCZZMZEQ-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4,5-dimethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

384.12497 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13225 191.2
[M+Na]+ 407.11419 205.5
[M-H]- 383.11769 195.9
[M+NH4]+ 402.15879 203.9
[M+K]+ 423.08813 195.7
[M+H-H2O]+ 367.12223 177.6
[M+HCOO]- 429.12317 208.7
[M+CH3COO]- 443.13882 201.8
[M+Na-2H]- 405.09964 189.5
[M]+ 384.12442 191.3
[M]- 384.12552 191.3
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