CID 3054212

Morpholine, 4,4'-((5,5-diethyldihydro-2,4,6-trioxo-1,3(2h,4h)-pyrimidinyl)bis(1-oxo-2,1-ethanediyl)bis-

Structural Information

Molecular Formula
C20H30N4O7
SMILES
CCC1(C(=O)N(C(=O)N(C1=O)CC(=O)N2CCOCC2)CC(=O)N3CCOCC3)CC
InChI
InChI=1S/C20H30N4O7/c1-3-20(4-2)17(27)23(13-15(25)21-5-9-30-10-6-21)19(29)24(18(20)28)14-16(26)22-7-11-31-12-8-22/h3-14H2,1-2H3
InChIKey
QBXPUMQSFQOTDV-UHFFFAOYSA-N
Compound name
5,5-diethyl-1,3-bis(2-morpholin-4-yl-2-oxoethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.21146 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.21874 204.8
[M+Na]+ 461.20068 206.8
[M-H]- 437.20418 208.1
[M+NH4]+ 456.24528 206.7
[M+K]+ 477.17462 206.8
[M+H-H2O]+ 421.20872 193.4
[M+HCOO]- 483.20966 208.4
[M+CH3COO]- 497.22531 229.1
[M+Na-2H]- 459.18613 200.6
[M]+ 438.21091 201.4
[M]- 438.21201 201.4
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.