CID 22482459

Chembl413932

Structural Information

Molecular Formula
C22H16F4N2O
SMILES
COCC1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H16F4N2O/c1-29-12-13-5-2-10-19-21(13)27-22(20-17(25)8-4-9-18(20)26)28(19)11-14-15(23)6-3-7-16(14)24/h2-10H,11-12H2,1H3
InChIKey
TWJFQLDHQKQCBP-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-(methoxymethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

400.11987 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12715 194.1
[M+Na]+ 423.10909 207.3
[M-H]- 399.11259 198.5
[M+NH4]+ 418.15369 205.8
[M+K]+ 439.08303 198.2
[M+H-H2O]+ 383.11713 180.1
[M+HCOO]- 445.11807 211.8
[M+CH3COO]- 459.13372 204.2
[M+Na-2H]- 421.09454 193.3
[M]+ 400.11932 195.2
[M]- 400.12042 195.2
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