CID 56600878

Nocazine c

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CN1/C(=C\C2=CC=C(C=C2)OC)/C(=O)N[C@H](C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-22-18(13-15-8-10-16(25-2)11-9-15)19(23)21-17(20(22)24)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,21,23)/b18-13-/t17-/m0/s1
InChIKey
LNJXHMVOPQVJDF-XIDKLXSXSA-N
Compound name
(3S,6Z)-3-benzyl-6-[(4-methoxyphenyl)methylidene]-1-methylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 182.4
[M+Na]+ 359.13662 196.8
[M+NH4]+ 354.18122 188.4
[M+K]+ 375.11056 188.9
[M-H]- 335.14012 186.4
[M+Na-2H]- 357.12207 189.6
[M]+ 336.14685 185.4
[M]- 336.14795 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.