CID 491395

Abx 096

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C18H19N3O4/c1-12(22)19-8-16-9-21(18(23)25-16)14-5-4-13-10-24-11-15-3-2-6-20(15)17(13)7-14/h2-7,16H,8-11H2,1H3,(H,19,22)/t16-/m0/s1
InChIKey
XDUUIHNCZQQJEC-INIZCTEOSA-N
Compound name
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

341.13754 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 178.9
[M+Na]+ 364.12676 185.1
[M-H]- 340.13026 187.5
[M+NH4]+ 359.17136 191.4
[M+K]+ 380.10070 186.3
[M+H-H2O]+ 324.13480 171.4
[M+HCOO]- 386.13574 194.9
[M+CH3COO]- 400.15139 189.0
[M+Na-2H]- 362.11221 179.5
[M]+ 341.13699 177.9
[M]- 341.13809 177.9
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.