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]+ 348.14418 177.9
[M+Na]+ 370.12612 184.7
[M-H]- 346.12962 181.6
[M+NH4]+ 365.17072 193.7
[M+K]+ 386.10006 180.8
[M+H-H2O]+ 330.13416 172.3
[M+HCOO]- 392.13510 190.6
[M+CH3COO]- 406.15075 204.4
[M+Na-2H]- 368.11157 177.1
[M]+ 347.13635 174.3
[M]- 347.13745 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.