CID 476515

Pa-1298

Structural Information

Molecular Formula
C14H12F3N5O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)NC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C14H12F3N5O5/c15-14(16,17)27-10-3-1-8(2-4-10)18-12(23)19-9-5-21-6-11(22(24)25)20-13(21)26-7-9/h1-4,6,9H,5,7H2,(H2,18,19,23)/t9-/m0/s1
InChIKey
OOFRZDPLXWOZAD-VIFPVBQESA-N
Compound name
1-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

387.07904 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08632 175.6
[M+Na]+ 410.06826 180.3
[M-H]- 386.07176 177.5
[M+NH4]+ 405.11286 183.8
[M+K]+ 426.04220 174.3
[M+H-H2O]+ 370.07630 168.7
[M+HCOO]- 432.07724 192.1
[M+CH3COO]- 446.09289 213.4
[M+Na-2H]- 408.05371 183.8
[M]+ 387.07849 170.2
[M]- 387.07959 170.2
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

patents stripe