CID 3040574

4-butyl-6-((dibutylamino)methyl)-2,3-morpholinedione monohydrobromide

Structural Information

Molecular Formula
C17H32N2O3
SMILES
CCCCN1CC(OC(=O)C1=O)CN(CCCC)CCCC
InChI
InChI=1S/C17H32N2O3/c1-4-7-10-18(11-8-5-2)13-15-14-19(12-9-6-3)16(20)17(21)22-15/h15H,4-14H2,1-3H3
InChIKey
OAPCDYGLYKDWJR-UHFFFAOYSA-N
Compound name
4-butyl-6-[(dibutylamino)methyl]morpholine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.2413 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.24858 180.4
[M+Na]+ 335.23052 183.9
[M-H]- 311.23402 183.0
[M+NH4]+ 330.27512 193.1
[M+K]+ 351.20446 183.2
[M+H-H2O]+ 295.23856 172.0
[M+HCOO]- 357.23950 198.2
[M+CH3COO]- 371.25515 215.5
[M+Na-2H]- 333.21597 179.9
[M]+ 312.24075 184.7
[M]- 312.24185 184.7
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.