CID 139597999

Spirotetramat ketohydroxy-carboxy

Structural Information

Molecular Formula
C18H21NO6
SMILES
CC1=CC(=C(C=C1)C(=O)O)C2(C(=O)C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H21NO6/c1-10-3-4-12(14(20)21)13(9-10)18(24)15(22)17(19-16(18)23)7-5-11(25-2)6-8-17/h3-4,9,11,24H,5-8H2,1-2H3,(H,19,23)(H,20,21)
InChIKey
YHCNRBMPQNJALQ-UHFFFAOYSA-N
Compound name
2-(3-hydroxy-8-methoxy-2,4-dioxo-1-azaspiro[4.5]decan-3-yl)-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

347.1369 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.144176 177.9
[M+Na]+ 370.126118 184.7
[M-H]- 346.129624 181.6
[M+NH4]+ 365.170723 193.7
[M+K]+ 386.100058 180.8
[M+H-H2O]+ 330.134160 172.3
[M+HCOO]- 392.135101 190.6
[M+CH3COO]- 406.150751 204.4
[M+Na-2H]- 368.111566 177.1
[M]+ 347.13635142 174.3
[M]- 347.13744858 174.3
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.