CID 54739

Imazaquin

Structural Information

Molecular Formula
C17H17N3O3
SMILES
CC(C)C1(C(=O)NC(=N1)C2=NC3=CC=CC=C3C=C2C(=O)O)C
InChI
InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)
InChIKey
CABMTIJINOIHOD-UHFFFAOYSA-N
Compound name
2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

67
References

39968
Patents

311.12698 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.7
[M+Na]+ 334.11620 181.7
[M-H]- 310.11970 174.6
[M+NH4]+ 329.16080 186.8
[M+K]+ 350.09014 176.6
[M+H-H2O]+ 294.12424 164.7
[M+HCOO]- 356.12518 187.1
[M+CH3COO]- 370.14083 202.9
[M+Na-2H]- 332.10165 173.8
[M]+ 311.12643 172.5
[M]- 311.12753 172.5
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