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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 176.4
[M+Na]+ 356.14684 180.3
[M-H]- 332.15034 181.0
[M+NH4]+ 351.19144 190.7
[M+K]+ 372.12078 178.7
[M+H-H2O]+ 316.15488 169.7
[M+HCOO]- 378.15582 193.2
[M+CH3COO]- 392.17147 211.0
[M+Na-2H]- 354.13229 175.4
[M]+ 333.15707 174.9
[M]- 333.15817 174.9
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

No patent data available for this compound.