CID 491399

Abx 100

Structural Information

Molecular Formula
C19H19N3O4
SMILES
C=CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C19H19N3O4/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/h2-8,16H,1,9-12H2,(H,20,23)/t16-/m0/s1
InChIKey
MWHXLFDFAAAYDO-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]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

353.13754 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.14482 182.9
[M+Na]+ 376.12676 189.0
[M-H]- 352.13026 191.4
[M+NH4]+ 371.17136 194.8
[M+K]+ 392.10070 189.4
[M+H-H2O]+ 336.13480 175.3
[M+HCOO]- 398.13574 198.7
[M+CH3COO]- 412.15139 192.5
[M+Na-2H]- 374.11221 182.9
[M]+ 353.13699 181.5
[M]- 353.13809 181.5
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

patents stripe