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 181.8
[M+Na]+ 359.13662 188.8
[M-H]- 335.14012 187.2
[M+NH4]+ 354.18122 191.7
[M+K]+ 375.11056 182.2
[M+H-H2O]+ 319.14466 171.2
[M+HCOO]- 381.14560 197.9
[M+CH3COO]- 395.16125 209.1
[M+Na-2H]- 357.12207 182.0
[M]+ 336.14685 179.1
[M]- 336.14795 179.1
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.