CID 476496

Pa-646

Structural Information

Molecular Formula
C15H11F6N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H11F6N3O4/c16-14(17,18)9-2-1-8(11(3-9)15(19,20)21)6-27-10-4-23-5-12(24(25)26)22-13(23)28-7-10/h1-3,5,10H,4,6-7H2/t10-/m0/s1
InChIKey
FSLKISSJWDWKBE-JTQLQIEISA-N
Compound name
(6S)-6-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

411.06537 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.07265 184.3
[M+Na]+ 434.05459 192.3
[M-H]- 410.05809 182.8
[M+NH4]+ 429.09919 192.7
[M+K]+ 450.02853 184.6
[M+H-H2O]+ 394.06263 175.9
[M+HCOO]- 456.06357 194.2
[M+CH3COO]- 470.07922 214.9
[M+Na-2H]- 432.04004 189.9
[M]+ 411.06482 177.0
[M]- 411.06592 177.0
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.