CID 492679

Chembl388693

Structural Information

Molecular Formula
C22H14F4N2O2
SMILES
COC(=O)C1=C2C(=CC=C1)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F
InChI
InChI=1S/C22H14F4N2O2/c1-30-22(29)12-5-2-10-18-20(12)27-21(19-16(25)8-4-9-17(19)26)28(18)11-13-14(23)6-3-7-15(13)24/h2-10H,11H2,1H3
InChIKey
ARZDBTKIMHITPH-UHFFFAOYSA-N
Compound name
methyl 2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

414.09915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.10643 196.2
[M+Na]+ 437.08837 209.1
[M-H]- 413.09187 200.9
[M+NH4]+ 432.13297 207.1
[M+K]+ 453.06231 200.9
[M+H-H2O]+ 397.09641 182.4
[M+HCOO]- 459.09735 213.3
[M+CH3COO]- 473.11300 206.1
[M+Na-2H]- 435.07382 194.4
[M]+ 414.09860 197.4
[M]- 414.09970 197.4
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