CID 460196

6-(4,5-dihydro-1h-imidazol-2-yl)-2-(4-methoxyphenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C17H16N4O
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NCCN4
InChI
InChI=1S/C17H16N4O/c1-22-13-5-2-11(3-6-13)17-20-14-7-4-12(10-15(14)21-17)16-18-8-9-19-16/h2-7,10H,8-9H2,1H3,(H,18,19)(H,20,21)
InChIKey
QPHMDJIMAUOSTD-UHFFFAOYSA-N
Compound name
6-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-methoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.13242 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13970 166.4
[M+Na]+ 315.12164 176.0
[M-H]- 291.12514 170.5
[M+NH4]+ 310.16624 179.5
[M+K]+ 331.09558 168.8
[M+H-H2O]+ 275.12968 156.5
[M+HCOO]- 337.13062 184.4
[M+CH3COO]- 351.14627 177.0
[M+Na-2H]- 313.10709 169.1
[M]+ 292.13187 165.5
[M]- 292.13297 165.5
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

No patent data available for this compound.