CID 9578711

39844-62-7

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]+ 332.160476 175.5
[M+Na]+ 354.142418 181.9
[M-H]- 330.145924 182.1
[M+NH4]+ 349.187023 189.8
[M+K]+ 370.116358 174.8
[M+H-H2O]+ 314.150460 172.0
[M+HCOO]- 376.151401 197.7
[M+CH3COO]- 390.167051 209.7
[M+Na-2H]- 352.127866 179.7
[M]+ 331.15265142 174.7
[M]- 331.15374858 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.