CID 54740

Imazethapyr

Structural Information

Molecular Formula
C15H19N3O3
SMILES
CCC1=CC(=C(N=C1)C2=NC(C(=O)N2)(C)C(C)C)C(=O)O
InChI
InChI=1S/C15H19N3O3/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21)
InChIKey
XVOKUMIPKHGGTN-UHFFFAOYSA-N
Compound name
5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7488
References

58606
Patents

289.14264 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.149916 166.1
[M+Na]+ 312.131858 174.7
[M-H]- 288.135364 167.2
[M+NH4]+ 307.176463 180.4
[M+K]+ 328.105798 170.8
[M+H-H2O]+ 272.139900 158.9
[M+HCOO]- 334.140841 181.6
[M+CH3COO]- 348.156491 199.1
[M+Na-2H]- 310.117306 165.6
[M]+ 289.14209142 166.5
[M]- 289.14318858 166.5
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