CID 723044

31704-11-7

Structural Information

Molecular Formula
C16H11N3
SMILES
C1=CC=C2C(=C1)C(=CC=N2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C16H11N3/c1-2-6-13-11(5-1)12(9-10-17-13)16-18-14-7-3-4-8-15(14)19-16/h1-10H,(H,18,19)
InChIKey
WQWLWMHHMQYNIE-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

28
Patents

245.09529 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10257 154.0
[M+Na]+ 268.08451 165.0
[M-H]- 244.08801 157.9
[M+NH4]+ 263.12911 170.3
[M+K]+ 284.05845 157.4
[M+H-H2O]+ 228.09255 144.5
[M+HCOO]- 290.09349 173.9
[M+CH3COO]- 304.10914 166.1
[M+Na-2H]- 266.06996 163.0
[M]+ 245.09474 153.9
[M]- 245.09584 153.9
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.