CID 476514

Pa-1297

Structural Information

Molecular Formula
C14H11F3N4O6
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C14H11F3N4O6/c15-14(16,17)27-9-3-1-8(2-4-9)18-13(22)26-10-5-20-6-11(21(23)24)19-12(20)25-7-10/h1-4,6,10H,5,7H2,(H,18,22)/t10-/m0/s1
InChIKey
BFGKIVVTPDSBJF-JTQLQIEISA-N
Compound name
[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl] N-[4-(trifluoromethoxy)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

388.06308 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.07036 176.5
[M+Na]+ 411.05230 181.9
[M-H]- 387.05580 178.5
[M+NH4]+ 406.09690 184.9
[M+K]+ 427.02624 176.5
[M+H-H2O]+ 371.06034 169.8
[M+HCOO]- 433.06128 192.1
[M+CH3COO]- 447.07693 210.5
[M+Na-2H]- 409.03775 184.0
[M]+ 388.06253 173.1
[M]- 388.06363 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.