CID 22482478

Chembl58007

Structural Information

Molecular Formula
C23H16F4N2O2
SMILES
CC(=O)OCC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C23H16F4N2O2/c1-13(30)31-12-14-5-2-10-20-22(14)28-23(21-18(26)8-4-9-19(21)27)29(20)11-15-16(24)6-3-7-17(15)25/h2-10H,11-12H2,1H3
InChIKey
OEFKKIOENWZRER-UHFFFAOYSA-N
Compound name
[2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazol-4-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

428.11478 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.12206 200.9
[M+Na]+ 451.10400 213.3
[M-H]- 427.10750 205.3
[M+NH4]+ 446.14860 211.2
[M+K]+ 467.07794 204.8
[M+H-H2O]+ 411.11204 186.8
[M+HCOO]- 473.11298 217.6
[M+CH3COO]- 487.12863 210.3
[M+Na-2H]- 449.08945 198.5
[M]+ 428.11423 202.3
[M]- 428.11533 202.3
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.