CID 3010009

1h-benzimidazole, 2,2'-(1,3-propanediyl)bis[5-methoxy-

Structural Information

Molecular Formula
C19H20N4O2
SMILES
COC1=CC2=C(C=C1)N=C(N2)CCCC3=NC4=C(N3)C=C(C=C4)OC
InChI
InChI=1S/C19H20N4O2/c1-24-12-6-8-14-16(10-12)22-18(20-14)4-3-5-19-21-15-9-7-13(25-2)11-17(15)23-19/h6-11H,3-5H2,1-2H3,(H,20,22)(H,21,23)
InChIKey
ZBKFAFSBGFNIJW-UHFFFAOYSA-N
Compound name
6-methoxy-2-[3-(6-methoxy-1H-benzimidazol-2-yl)propyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.15863 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.16591 179.4
[M+Na]+ 359.14785 190.6
[M-H]- 335.15135 181.9
[M+NH4]+ 354.19245 192.3
[M+K]+ 375.12179 183.3
[M+H-H2O]+ 319.15589 170.0
[M+HCOO]- 381.15683 198.0
[M+CH3COO]- 395.17248 189.8
[M+Na-2H]- 357.13330 182.8
[M]+ 336.15808 184.9
[M]- 336.15918 184.9
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.