CID 6439506

Xr 1853

Structural Information

Molecular Formula
C22H23N3O3
SMILES
CN(C)CCOC1=CC=C(C=C1)/C=C\2/C(=O)N/C(=C/C3=CC=CC=C3)/C(=O)N2
InChI
InChI=1S/C22H23N3O3/c1-25(2)12-13-28-18-10-8-17(9-11-18)15-20-22(27)23-19(21(26)24-20)14-16-6-4-3-5-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,23,27)(H,24,26)/b19-14+,20-15-
InChIKey
SKAOOZAHHYQXKN-WOBBTWAASA-N
Compound name
(3E,6Z)-3-benzylidene-6-[[4-[2-(dimethylamino)ethoxy]phenyl]methylidene]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.17395 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.18123 191.4
[M+Na]+ 400.16317 206.1
[M+NH4]+ 395.20777 196.3
[M+K]+ 416.13711 198.1
[M-H]- 376.16667 195.7
[M+Na-2H]- 398.14862 200.1
[M]+ 377.17340 194.5
[M]- 377.17450 194.5
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.