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

literature stripe

Patent stripe

patents stripe