CID 3060280

2,3-piperazinedione, 1-hexyl-4-(p-piperidinobenzyl)-

Structural Information

Molecular Formula
C22H33N3O2
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N3CCCCC3
InChI
InChI=1S/C22H33N3O2/c1-2-3-4-6-15-24-16-17-25(22(27)21(24)26)18-19-9-11-20(12-10-19)23-13-7-5-8-14-23/h9-12H,2-8,13-18H2,1H3
InChIKey
WYZKFDHDFKUFBT-UHFFFAOYSA-N
Compound name
1-hexyl-4-[(4-piperidin-1-ylphenyl)methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.25726 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.26454 196.7
[M+Na]+ 394.24648 198.8
[M-H]- 370.24998 199.7
[M+NH4]+ 389.29108 203.9
[M+K]+ 410.22042 192.9
[M+H-H2O]+ 354.25452 184.2
[M+HCOO]- 416.25546 207.4
[M+CH3COO]- 430.27111 219.2
[M+Na-2H]- 392.23193 193.7
[M]+ 371.25671 191.5
[M]- 371.25781 191.5
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.