CID 9578711

Brn 1503386

Structural Information

Molecular Formula
C17H21N3O4
SMILES
CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC=C(C=C2)[N+](=O)[O-])C)CC
InChI
InChI=1S/C17H21N3O4/c1-4-17(5-2)15(21)12(3)11-19(16(17)22)18-10-13-6-8-14(9-7-13)20(23)24/h6-10,12H,4-5,11H2,1-3H3/b18-10+
InChIKey
PEJFXQGCVOVJJD-VCHYOVAHSA-N
Compound name
3,3-diethyl-5-methyl-1-[(E)-(4-nitrophenyl)methylideneamino]piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1532 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16048 175.5
[M+Na]+ 354.14242 181.9
[M-H]- 330.14592 182.1
[M+NH4]+ 349.18702 189.8
[M+K]+ 370.11636 174.8
[M+H-H2O]+ 314.15046 172.0
[M+HCOO]- 376.15140 197.7
[M+CH3COO]- 390.16705 209.7
[M+Na-2H]- 352.12787 179.7
[M]+ 331.15265 174.7
[M]- 331.15375 174.7
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.