CID 491396

Abx 097

Structural Information

Molecular Formula
C19H21N3O4
SMILES
CCC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C19H21N3O4/c1-2-18(23)20-9-16-10-22(19(24)26-16)14-6-5-13-11-25-12-15-4-3-7-21(15)17(13)8-14/h3-8,16H,2,9-12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKey
IEDUALJTJCGIQH-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]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1532 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.16048 183.3
[M+Na]+ 378.14242 189.1
[M-H]- 354.14592 191.8
[M+NH4]+ 373.18702 195.2
[M+K]+ 394.11636 190.1
[M+H-H2O]+ 338.15046 175.6
[M+HCOO]- 400.15140 199.0
[M+CH3COO]- 414.16705 192.9
[M+Na-2H]- 376.12787 183.4
[M]+ 355.15265 182.6
[M]- 355.15375 182.6
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.