CID 476495

(s)-2-nitro-6-(4-trifluoromethyl-benzyloxy)-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine

Structural Information

Molecular Formula
C14H12F3N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C14H12F3N3O4/c15-14(16,17)10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1
InChIKey
SGJBPETWYLMWNC-NSHDSACASA-N
Compound name
(6S)-2-nitro-6-[[4-(trifluoromethyl)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

343.078 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08528 171.3
[M+Na]+ 366.06722 178.3
[M-H]- 342.07072 173.2
[M+NH4]+ 361.11182 182.2
[M+K]+ 382.04116 171.5
[M+H-H2O]+ 326.07526 164.8
[M+HCOO]- 388.07620 186.3
[M+CH3COO]- 402.09185 202.7
[M+Na-2H]- 364.05267 178.0
[M]+ 343.07745 167.4
[M]- 343.07855 167.4
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

patents stripe