CID 139594401

Spirotetramat-ma-amide

Structural Information

Molecular Formula
C18H25NO5
SMILES
CC1=CC(=C(C=C1)C)C(C(=O)NC2(CCC(CC2)OC)C(=O)O)O
InChI
InChI=1S/C18H25NO5/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/h4-5,10,13,15,20H,6-9H2,1-3H3,(H,19,21)(H,22,23)
InChIKey
BQMSZJLYWPKQFG-UHFFFAOYSA-N
Compound name
1-[[2-(2,5-dimethylphenyl)-2-hydroxyacetyl]amino]-4-methoxycyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

335.17328 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.180556 178.4
[M+Na]+ 358.162498 181.5
[M-H]- 334.166004 181.6
[M+NH4]+ 353.207103 191.9
[M+K]+ 374.136438 179.8
[M+H-H2O]+ 318.170540 171.9
[M+HCOO]- 380.171481 193.4
[M+CH3COO]- 394.187131 209.5
[M+Na-2H]- 356.147946 176.9
[M]+ 335.17273142 175.7
[M]- 335.17382858 175.7
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.