CID 9578710

Brn 1503106

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC3=C(C=C2)OCO3)C)CC
InChI
InChI=1S/C18H22N2O4/c1-4-18(5-2)16(21)12(3)10-20(17(18)22)19-9-13-6-7-14-15(8-13)24-11-23-14/h6-9,12H,4-5,10-11H2,1-3H3/b19-9+
InChIKey
DLBFYJSHSJASPQ-DJKKODMXSA-N
Compound name
1-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3,3-diethyl-5-methylpiperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 177.6
[M+Na]+ 353.14718 189.0
[M+NH4]+ 348.19178 185.4
[M+K]+ 369.12112 183.1
[M-H]- 329.15068 183.1
[M+Na-2H]- 351.13263 181.4
[M]+ 330.15741 180.8
[M]- 330.15851 180.8
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

No patent data available for this compound.