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 176.8
[M+Na]+ 353.14718 184.9
[M-H]- 329.15068 185.5
[M+NH4]+ 348.19178 192.2
[M+K]+ 369.12112 183.5
[M+H-H2O]+ 313.15522 169.4
[M+HCOO]- 375.15616 195.2
[M+CH3COO]- 389.17181 214.3
[M+Na-2H]- 351.13263 179.5
[M]+ 330.15741 179.8
[M]- 330.15851 179.8
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.