CID 6482248

(6s)-2-nitro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazine

Structural Information

Molecular Formula
C15H14F3N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])CCC3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C15H14F3N3O4/c16-15(17,18)25-12-5-3-10(4-6-12)1-2-11-7-20-8-13(21(22)23)19-14(20)24-9-11/h3-6,8,11H,1-2,7,9H2/t11-/m0/s1
InChIKey
HRAFZWLZEBJWNA-NSHDSACASA-N
Compound name
(6S)-2-nitro-6-[2-[4-(trifluoromethoxy)phenyl]ethyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.09363 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10091 176.1
[M+Na]+ 380.08285 182.6
[M-H]- 356.08635 177.8
[M+NH4]+ 375.12745 186.5
[M+K]+ 396.05679 175.6
[M+H-H2O]+ 340.09089 169.5
[M+HCOO]- 402.09183 190.8
[M+CH3COO]- 416.10748 205.6
[M+Na-2H]- 378.06830 182.3
[M]+ 357.09308 172.5
[M]- 357.09418 172.5
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.