CID 491406

Abx 107

Structural Information

Molecular Formula
C23H21N3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H21N3O4/c27-22(16-5-2-1-3-6-16)24-12-20-13-26(23(28)30-20)18-9-8-17-14-29-15-19-7-4-10-25(19)21(17)11-18/h1-11,20H,12-15H2,(H,24,27)/t20-/m0/s1
InChIKey
ATVSGYAXTMQQST-FQEVSTJZSA-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]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 195.5
[M+Na]+ 426.14242 201.0
[M-H]- 402.14592 206.9
[M+NH4]+ 421.18702 205.0
[M+K]+ 442.11636 201.1
[M+H-H2O]+ 386.15046 187.1
[M+HCOO]- 448.15140 211.1
[M+CH3COO]- 462.16705 204.4
[M+Na-2H]- 424.12787 195.1
[M]+ 403.15265 193.7
[M]- 403.15375 193.7
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.