CID 507385

1-[(5-chloro-2-thienyl)methyl]-2-(2-fluorophenyl)-4-methoxy-benzimidazole

Structural Information

Molecular Formula
C19H14ClFN2OS
SMILES
COC1=CC=CC2=C1N=C(N2CC3=CC=C(S3)Cl)C4=CC=CC=C4F
InChI
InChI=1S/C19H14ClFN2OS/c1-24-16-8-4-7-15-18(16)22-19(13-5-2-3-6-14(13)21)23(15)11-12-9-10-17(20)25-12/h2-10H,11H2,1H3
InChIKey
QCZGIYCHQNJXKQ-UHFFFAOYSA-N
Compound name
1-[(5-chlorothiophen-2-yl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.04993 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.05721 184.8
[M+Na]+ 395.03915 198.9
[M-H]- 371.04265 193.8
[M+NH4]+ 390.08375 201.4
[M+K]+ 411.01309 191.1
[M+H-H2O]+ 355.04719 176.6
[M+HCOO]- 417.04813 198.9
[M+CH3COO]- 431.06378 197.2
[M+Na-2H]- 393.02460 183.1
[M]+ 372.04938 193.3
[M]- 372.05048 193.3
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.