CID 9879500

Spirotetramat metabolite byi08330-mono-hydroxy

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC1=CC(=C(C=C1)C)C2C(C3(CCC(CC3)OC)NC2=O)O
InChI
InChI=1S/C18H25NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,15-16,20H,6-9H2,1-3H3,(H,19,21)
InChIKey
HPQGJNTUXNUIDL-UHFFFAOYSA-N
Compound name
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]decan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

303.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 173.1
[M+Na]+ 326.172658 179.7
[M-H]- 302.176164 177.9
[M+NH4]+ 321.217263 190.0
[M+K]+ 342.146598 174.6
[M+H-H2O]+ 286.180700 166.3
[M+HCOO]- 348.181641 187.5
[M+CH3COO]- 362.197291 200.4
[M+Na-2H]- 324.158106 171.4
[M]+ 303.18289142 168.2
[M]- 303.18398858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe