CID 100708

Bimolane

Structural Information

Molecular Formula
C20H32N6O6
SMILES
C1COCCN1CN2C(=O)CN(CC2=O)CCN3CC(=O)N(C(=O)C3)CN4CCOCC4
InChI
InChI=1S/C20H32N6O6/c27-17-11-23(12-18(28)25(17)15-21-3-7-31-8-4-21)1-2-24-13-19(29)26(20(30)14-24)16-22-5-9-32-10-6-22/h1-16H2
InChIKey
JGQGCJKPBAYEHO-UHFFFAOYSA-N
Compound name
1-(morpholin-4-ylmethyl)-4-[2-[4-(morpholin-4-ylmethyl)-3,5-dioxopiperazin-1-yl]ethyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

64
Patents

452.23834 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24562 212.7
[M+Na]+ 475.22756 220.7
[M+NH4]+ 470.27216 213.8
[M+K]+ 491.20150 217.6
[M-H]- 451.23106 215.8
[M+Na-2H]- 473.21301 211.6
[M]+ 452.23779 213.9
[M]- 452.23889 213.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe