CID 491409

Abx 195

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CCOC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C19H21N3O5/c1-2-26-18(23)20-9-16-10-22(19(24)27-16)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
OSPABBNZAVGBEC-INIZCTEOSA-N
Compound name
ethyl 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

371.14813 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 185.6
[M+Na]+ 394.13735 191.2
[M-H]- 370.14085 194.2
[M+NH4]+ 389.18195 196.9
[M+K]+ 410.11129 193.0
[M+H-H2O]+ 354.14539 177.9
[M+HCOO]- 416.14633 201.5
[M+CH3COO]- 430.16198 195.1
[M+Na-2H]- 392.12280 186.0
[M]+ 371.14758 186.1
[M]- 371.14868 186.1
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.