CID 3060502

Brn 5636793

Structural Information

Molecular Formula
C20H30N2O5
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=C(C(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C20H30N2O5/c1-5-6-7-8-11-21-12-13-22(20(24)19(21)23)14-15-9-10-16(25-2)18(27-4)17(15)26-3/h9-10H,5-8,11-14H2,1-4H3
InChIKey
AMQLGAXQVACRLS-UHFFFAOYSA-N
Compound name
1-hexyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.222756 191.8
[M+Na]+ 401.204698 198.1
[M-H]- 377.208204 195.1
[M+NH4]+ 396.249303 201.4
[M+K]+ 417.178638 195.1
[M+H-H2O]+ 361.212740 181.8
[M+HCOO]- 423.213681 208.3
[M+CH3COO]- 437.229331 222.4
[M+Na-2H]- 399.190146 189.8
[M]+ 378.21493142 197.8
[M]- 378.21602858 197.8
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.