CID 214975

Benzimidazole, 1-((8-quinolyloxy)methyl)-, dioxalate

Structural Information

Molecular Formula
C17H13N3O
SMILES
C1=CC=C2C(=C1)N=CN2COC3=CC=CC4=C3N=CC=C4
InChI
InChI=1S/C17H13N3O/c1-2-8-15-14(7-1)19-11-20(15)12-21-16-9-3-5-13-6-4-10-18-17(13)16/h1-11H,12H2
InChIKey
ZBXUPYSVONYRPZ-UHFFFAOYSA-N
Compound name
8-(benzimidazol-1-ylmethoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10587 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11315 161.9
[M+Na]+ 298.09509 172.7
[M-H]- 274.09859 167.0
[M+NH4]+ 293.13969 177.5
[M+K]+ 314.06903 166.3
[M+H-H2O]+ 258.10313 151.6
[M+HCOO]- 320.10407 183.0
[M+CH3COO]- 334.11972 174.0
[M+Na-2H]- 296.08054 170.7
[M]+ 275.10532 165.1
[M]- 275.10642 165.1
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.