CID 491410

Benzyl n-[[(5s)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-oxazolidin-5-yl]methyl]carbamate

Structural Information

Molecular Formula
C24H23N3O5
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C24H23N3O5/c28-23(31-14-17-5-2-1-3-6-17)25-12-21-13-27(24(29)32-21)19-9-8-18-15-30-16-20-7-4-10-26(20)22(18)11-19/h1-11,21H,12-16H2,(H,25,28)/t21-/m0/s1
InChIKey
IYDOUQOBKQZGSB-NRFANRHFSA-N
Compound name
benzyl N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.16376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17104 202.0
[M+Na]+ 456.15298 206.8
[M-H]- 432.15648 213.3
[M+NH4]+ 451.19758 210.3
[M+K]+ 472.12692 207.7
[M+H-H2O]+ 416.16102 193.4
[M+HCOO]- 478.16196 217.4
[M+CH3COO]- 492.17761 210.3
[M+Na-2H]- 454.13843 201.4
[M]+ 433.16321 201.7
[M]- 433.16431 201.7
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.