CID 507384

2-(2-fluorophenyl)-4-methoxy-1-(2-thienylmethyl)benzimidazole

Structural Information

Molecular Formula
C19H15FN2OS
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=CS3)C4=CC=CC=C4F
InChI
InChI=1S/C19H15FN2OS/c1-23-17-10-4-9-16-18(17)21-19(14-7-2-3-8-15(14)20)22(16)12-13-6-5-11-24-13/h2-11H,12H2,1H3
InChIKey
BBWKDLOTTSOHJS-UHFFFAOYSA-N
Compound name
2-(2-fluorophenyl)-4-methoxy-1-(thiophen-2-ylmethyl)benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0889 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.09618 176.8
[M+Na]+ 361.07812 189.6
[M-H]- 337.08162 185.8
[M+NH4]+ 356.12272 193.7
[M+K]+ 377.05206 183.0
[M+H-H2O]+ 321.08616 168.3
[M+HCOO]- 383.08710 195.8
[M+CH3COO]- 397.10275 189.4
[M+Na-2H]- 359.06357 176.4
[M]+ 338.08835 182.9
[M]- 338.08945 182.9
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.