CID 3040560

Dihydro-2-((dibutylamino)methyl)-4-methyl-1,4-oxazepine-5,7(2h,6h)-dione monohydrobromide

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CCCCN(CCCC)CC1CN(C(=O)CC(=O)O1)C
InChI
InChI=1S/C15H28N2O3/c1-4-6-8-17(9-7-5-2)12-13-11-16(3)14(18)10-15(19)20-13/h13H,4-12H2,1-3H3
InChIKey
JJOUJKXFDUTWEP-UHFFFAOYSA-N
Compound name
2-[(dibutylamino)methyl]-4-methyl-1,4-oxazepane-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.217276 164.3
[M+Na]+ 307.199218 166.9
[M-H]- 283.202724 168.5
[M+NH4]+ 302.243823 177.1
[M+K]+ 323.173158 171.5
[M+H-H2O]+ 267.207260 156.4
[M+HCOO]- 329.208201 182.2
[M+CH3COO]- 343.223851 209.6
[M+Na-2H]- 305.184666 164.9
[M]+ 284.20945142 164.4
[M]- 284.21054858 164.4
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.