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]+ 285.21728 164.3
[M+Na]+ 307.19922 166.9
[M-H]- 283.20272 168.5
[M+NH4]+ 302.24382 177.1
[M+K]+ 323.17316 171.5
[M+H-H2O]+ 267.20726 156.4
[M+HCOO]- 329.20820 182.2
[M+CH3COO]- 343.22385 209.6
[M+Na-2H]- 305.18467 164.9
[M]+ 284.20945 164.4
[M]- 284.21055 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.