CID 3010008

1h-benzimidazole, 2,2'-methylenebis[5-methoxy-

Structural Information

Molecular Formula
C17H16N4O2
SMILES
COC1=CC2=C(C=C1)N=C(N2)CC3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C17H16N4O2/c1-22-10-3-5-12-14(7-10)20-16(18-12)9-17-19-13-6-4-11(23-2)8-15(13)21-17/h3-8H,9H2,1-2H3,(H,18,20)(H,19,21)
InChIKey
DVXJCWCMBFLHJR-UHFFFAOYSA-N
Compound name
6-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.12732 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13460 170.5
[M+Na]+ 331.11654 182.8
[M-H]- 307.12004 173.4
[M+NH4]+ 326.16114 184.7
[M+K]+ 347.09048 175.9
[M+H-H2O]+ 291.12458 161.6
[M+HCOO]- 353.12552 189.9
[M+CH3COO]- 367.14117 181.9
[M+Na-2H]- 329.10199 175.0
[M]+ 308.12677 175.5
[M]- 308.12787 175.5
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.