CID 44427788

Chembl389119

Structural Information

Molecular Formula
C23H17F4N3O
SMILES
CC(=O)NCC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C23H17F4N3O/c1-13(31)28-11-14-5-2-10-20-22(14)29-23(21-18(26)8-4-9-19(21)27)30(20)12-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3,(H,28,31)
InChIKey
QSBVMKCHOMJCFO-UHFFFAOYSA-N
Compound name
N-[[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.13077 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.13805 201.2
[M+Na]+ 450.11999 213.0
[M-H]- 426.12349 205.6
[M+NH4]+ 445.16459 211.3
[M+K]+ 466.09393 203.8
[M+H-H2O]+ 410.12803 187.1
[M+HCOO]- 472.12897 218.8
[M+CH3COO]- 486.14462 210.2
[M+Na-2H]- 448.10544 199.6
[M]+ 427.13022 200.8
[M]- 427.13132 200.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.