CID 491401

Abx 102

Structural Information

Molecular Formula
C18H18ClN3O4
SMILES
C1[C@@H](OC(=O)N1C2=CC3=C(COCC4=CC=CN43)C=C2)CNC(=O)CCl
InChI
InChI=1S/C18H18ClN3O4/c19-7-17(23)20-8-15-9-22(18(24)26-15)13-4-3-12-10-25-11-14-2-1-5-21(14)16(12)6-13/h1-6,15H,7-11H2,(H,20,23)/t15-/m0/s1
InChIKey
MHHOUFZYQHOCDM-HNNXBMFYSA-N
Compound name
2-chloro-N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.09857 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.10585 188.3
[M+Na]+ 398.08779 197.4
[M+NH4]+ 393.13239 193.9
[M+K]+ 414.06173 196.5
[M-H]- 374.09129 192.2
[M+Na-2H]- 396.07324 189.3
[M]+ 375.09802 190.7
[M]- 375.09912 190.7
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.