CID 492674

Chembl418637

Structural Information

Molecular Formula
C22H16F4N2
SMILES
CCC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H16F4N2/c1-2-13-6-3-11-19-21(13)27-22(20-17(25)9-5-10-18(20)26)28(19)12-14-15(23)7-4-8-16(14)24/h3-11H,2,12H2,1H3
InChIKey
LCJJJHWUTRNUQY-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-ethylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

384.12497 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13225 190.7
[M+Na]+ 407.11419 204.1
[M-H]- 383.11769 195.1
[M+NH4]+ 402.15879 203.2
[M+K]+ 423.08813 194.4
[M+H-H2O]+ 367.12223 176.9
[M+HCOO]- 429.12317 208.3
[M+CH3COO]- 443.13882 201.0
[M+Na-2H]- 405.09964 189.8
[M]+ 384.12442 190.5
[M]- 384.12552 190.5
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