CID 476511

Chembl1944704

Structural Information

Molecular Formula
C14H11F3N4O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C14H11F3N4O5/c15-14(16,17)26-10-3-1-8(2-4-10)12(22)18-9-5-20-6-11(21(23)24)19-13(20)25-7-9/h1-4,6,9H,5,7H2,(H,18,22)/t9-/m0/s1
InChIKey
XSEMVOCUQUIOJC-VIFPVBQESA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-4-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

372.06815 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07543 174.2
[M+Na]+ 395.05737 179.9
[M-H]- 371.06087 176.2
[M+NH4]+ 390.10197 183.3
[M+K]+ 411.03131 173.8
[M+H-H2O]+ 355.06541 167.6
[M+HCOO]- 417.06635 189.7
[M+CH3COO]- 431.08200 209.0
[M+Na-2H]- 393.04282 181.3
[M]+ 372.06760 169.6
[M]- 372.06870 169.6
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.