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]+ 379.22276 191.8
[M+Na]+ 401.20470 198.1
[M-H]- 377.20820 195.1
[M+NH4]+ 396.24930 201.4
[M+K]+ 417.17864 195.1
[M+H-H2O]+ 361.21274 181.8
[M+HCOO]- 423.21368 208.3
[M+CH3COO]- 437.22933 222.4
[M+Na-2H]- 399.19015 189.8
[M]+ 378.21493 197.8
[M]- 378.21603 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.