CID 3060501

78201-59-9

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C19H28N2O4/c1-4-5-6-7-10-20-11-12-21(19(23)18(20)22)14-15-8-9-16(24-2)13-17(15)25-3/h8-9,13H,4-7,10-12,14H2,1-3H3
InChIKey
DEJXEQMGDZBWQR-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethoxyphenyl)methyl]-4-hexylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 186.2
[M+Na]+ 371.19412 197.8
[M+NH4]+ 366.23872 191.2
[M+K]+ 387.16806 191.0
[M-H]- 347.19762 187.6
[M+Na-2H]- 369.17957 189.7
[M]+ 348.20435 188.0
[M]- 348.20545 188.0
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.