CID 491402

Abx 103

Structural Information

Molecular Formula
C18H18BrN3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC(=O)CBr
InChI
InChI=1S/C18H18BrN3O4/c19-7-17(23)20-8-15-9-22(18(24)26-15)13-4-3-12-10-25-11-14-2-1-5-21(14)16(12)6-13/h1-6,15H,7-11H2,(H,20,23)/t15-/m0/s1
InChIKey
JSSIINUBMRUCIW-HNNXBMFYSA-N
Compound name
2-bromo-N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.04807 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.05535 191.5
[M+Na]+ 442.03729 200.0
[M-H]- 418.04079 202.0
[M+NH4]+ 437.08189 204.7
[M+K]+ 458.01123 194.2
[M+H-H2O]+ 402.04533 189.9
[M+HCOO]- 464.04627 205.5
[M+CH3COO]- 478.06192 202.3
[M+Na-2H]- 440.02274 192.7
[M]+ 419.04752 207.7
[M]- 419.04862 207.7
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.