CID 5278527

3-benzylidene-5-isobutyl-4-(4-methoxy-benzyl)-1-methoxymethoxy-piperazine-2,6-dione

Structural Information

Molecular Formula
C25H30N2O5
SMILES
CC(C)C[C@H]1C(=O)N(C(=O)/C(=C/C2=CC=CC=C2)/N1CC3=CC=C(C=C3)OC)OCOC
InChI
InChI=1S/C25H30N2O5/c1-18(2)14-22-24(28)27(32-17-30-3)25(29)23(15-19-8-6-5-7-9-19)26(22)16-20-10-12-21(31-4)13-11-20/h5-13,15,18,22H,14,16-17H2,1-4H3/b23-15-/t22-/m0/s1
InChIKey
QXJIBNISSSABJS-PZLPMSIKSA-N
Compound name
(3Z,5S)-3-benzylidene-1-(methoxymethoxy)-4-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.21548 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22276 208.0
[M+Na]+ 461.20470 213.2
[M-H]- 437.20820 214.2
[M+NH4]+ 456.24930 214.3
[M+K]+ 477.17864 208.6
[M+H-H2O]+ 421.21274 196.1
[M+HCOO]- 483.21368 223.1
[M+CH3COO]- 497.22933 232.7
[M+Na-2H]- 459.19015 204.6
[M]+ 438.21493 211.4
[M]- 438.21603 211.4
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.