CID 3065413

2,6-piperazindedione, 4,4'-(1,2-dimethyl-1,2-ethanediyl)bis(1-(4-morpholinylmethyl)-, (r*,s*)-

Structural Information

Molecular Formula
C22H36N6O6
SMILES
C[C@H]([C@H](C)N1CC(=O)N(C(=O)C1)CN2CCOCC2)N3CC(=O)N(C(=O)C3)CN4CCOCC4
InChI
InChI=1S/C22H36N6O6/c1-17(25-11-19(29)27(20(30)12-25)15-23-3-7-33-8-4-23)18(2)26-13-21(31)28(22(32)14-26)16-24-5-9-34-10-6-24/h17-18H,3-16H2,1-2H3/t17-,18+
InChIKey
RVIJLLSJRPDBHS-HDICACEKSA-N
Compound name
1-(morpholin-4-ylmethyl)-4-[(2S,3R)-3-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]butan-2-yl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

480.26962 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.27690 217.0
[M+Na]+ 503.25884 224.0
[M+NH4]+ 498.30344 217.6
[M+K]+ 519.23278 222.3
[M-H]- 479.26234 219.8
[M+Na-2H]- 501.24429 215.2
[M]+ 480.26907 217.9
[M]- 480.27017 217.9
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

patents stripe