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
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References

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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 169.0
[M+Na]+ 307.19922 175.8
[M+NH4]+ 302.24382 173.8
[M+K]+ 323.17316 172.2
[M-H]- 283.20272 170.2
[M+Na-2H]- 305.18467 170.2
[M]+ 284.20945 170.0
[M]- 284.21055 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.