CID 507392

Methyl 2-[2-(2-fluorophenyl)-4-methoxy-benzimidazol-1-yl]acetate

Structural Information

Molecular Formula
C17H15FN2O3
SMILES
COC1=CC=CC2=C1N=C(N2CC(=O)OC)C3=CC=CC=C3F
InChI
InChI=1S/C17H15FN2O3/c1-22-14-9-5-8-13-16(14)19-17(20(13)10-15(21)23-2)11-6-3-4-7-12(11)18/h3-9H,10H2,1-2H3
InChIKey
LZYRMZNIJDLXCS-UHFFFAOYSA-N
Compound name
methyl 2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10666 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11394 170.6
[M+Na]+ 337.09588 181.6
[M-H]- 313.09938 175.5
[M+NH4]+ 332.14048 185.6
[M+K]+ 353.06982 177.1
[M+H-H2O]+ 297.10392 160.8
[M+HCOO]- 359.10486 191.9
[M+CH3COO]- 373.12051 206.4
[M+Na-2H]- 335.08133 173.7
[M]+ 314.10611 176.0
[M]- 314.10721 176.0
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.