CID 139596673

Spirotetramat-glyoxylic amide

Structural Information

Molecular Formula

C₁₈H₂₃NO₅

SMILES

CC1=CC(=C(C=C1)C)C(=O)C(=O)NC2(CCC(CC2)OC)C(=O)O

InChI

InChI=1S/C18H23NO5/c1-11-4-5-12(2)14(10-11)15(20)16(21)19-18(17(22)23)8-6-13(24-3)7-9-18/h4-5,10,13H,6-9H2,1-3H3,(H,19,21)(H,22,23)

InChIKey

PSPLIDSCFRZXPG-UHFFFAOYSA-N

Compound name

1-[[2-(2,5-dimethylphenyl)-2-oxoacetyl]amino]-4-methoxycyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 333.15762 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	334.164896	176.4
[M+Na]+	356.146838	180.3
[M-H]-	332.150344	181.0
[M+NH4]+	351.191443	190.7
[M+K]+	372.120778	178.7
[M+H-H2O]+	316.154880	169.7
[M+HCOO]-	378.155821	193.2
[M+CH3COO]-	392.171471	211.0
[M+Na-2H]-	354.132286	175.4
[M]+	333.15707142	174.9
[M]-	333.15816858	174.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.