CID 2457

Bu 224

Structural Information

Molecular Formula
C12H11N3
SMILES
C1CN=C(N1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C12H11N3/c1-2-4-10-9(3-1)5-6-11(15-10)12-13-7-8-14-12/h1-6H,7-8H2,(H,13,14)
InChIKey
OSUVWJGCKQEMHK-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

67
References

118
Patents

197.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10257 142.2
[M+Na]+ 220.08451 150.7
[M-H]- 196.08801 144.4
[M+NH4]+ 215.12911 159.3
[M+K]+ 236.05845 145.4
[M+H-H2O]+ 180.09255 133.3
[M+HCOO]- 242.09349 161.0
[M+CH3COO]- 256.10914 154.2
[M+Na-2H]- 218.06996 149.4
[M]+ 197.09474 138.8
[M]- 197.09584 138.8
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