PubChemLite - Spirotetramat enol-dimer 1 (C36H44N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)C)C2=C(C3(CCC(CC3)OC)NC2=O)OC4=C(C(=O)NC45CCC(CC5)OC)C6=C(C=CC(=C6)C)C

InChI

InChI=1S/C36H44N2O5/c1-21-7-9-23(3)27(19-21)29-31(35(37-33(29)39)15-11-25(41-5)12-16-35)43-32-30(28-20-22(2)8-10-24(28)4)34(40)38-36(32)17-13-26(42-6)14-18-36/h7-10,19-20,25-26H,11-18H2,1-6H3,(H,37,39)(H,38,40)

InChIKey

AIBZPEBHXZUTDQ-UHFFFAOYSA-N

Compound name

3-(2,5-dimethylphenyl)-4-[[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl]oxy]-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	585.33228	245.9
[M+Na]+	607.31422	250.2
[M-H]-	583.31772	257.2
[M+NH4]+	602.35882	252.8
[M+K]+	623.28816	243.1
[M+H-H2O]+	567.32226	234.5
[M+HCOO]-	629.32320	252.9
[M+CH3COO]-	643.33885	250.1
[M+Na-2H]-	605.29967	234.4
[M]+	584.32445	241.5
[M]-	584.32555	241.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

585.33228

245.9

[M+Na]+

607.31422

250.2

[M-H]-

583.31772

257.2

[M+NH4]+

602.35882

252.8

[M+K]+

623.28816

243.1

[M+H-H2O]+

567.32226

234.5

[M+HCOO]-

629.32320

252.9

[M+CH3COO]-

643.33885

250.1

[M+Na-2H]-

605.29967

234.4

[M]+

584.32445

241.5

[M]-

584.32555

241.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Spirotetramat enol-dimer 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe