CID 3003586

Abx 201

Structural Information

Molecular Formula
C18H19N3O4S
SMILES
COC(=S)NC[C@H]1CN(C(=O)O1)C2=CC3=C(COCC4=CC=CN43)C=C2
InChI
InChI=1S/C18H19N3O4S/c1-23-17(26)19-8-15-9-21(18(22)25-15)13-5-4-12-10-24-11-14-3-2-6-20(14)16(12)7-13/h2-7,15H,8-11H2,1H3,(H,19,26)/t15-/m0/s1
InChIKey
FSQKREKRQLHTJL-HNNXBMFYSA-N
Compound name
O-methyl N-[[(5S)-3-(4,6-dihydropyrrolo[1,2-a][4,1]benzoxazepin-9-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.10962 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.11690 191.8
[M+Na]+ 396.09884 199.8
[M+NH4]+ 391.14344 197.6
[M+K]+ 412.07278 197.6
[M-H]- 372.10234 195.9
[M+Na-2H]- 394.08429 192.3
[M]+ 373.10907 194.3
[M]- 373.11017 194.3
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.