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]+ 336.18056 178.4
[M+Na]+ 358.16250 181.5
[M-H]- 334.16600 181.6
[M+NH4]+ 353.20710 191.9
[M+K]+ 374.13644 179.8
[M+H-H2O]+ 318.17054 171.9
[M+HCOO]- 380.17148 193.4
[M+CH3COO]- 394.18713 209.5
[M+Na-2H]- 356.14795 176.9
[M]+ 335.17273 175.7
[M]- 335.17383 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.