CID 476503

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

Structural Information

Molecular Formula
C19H17N3O5
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C19H17N3O5/c23-22(24)18-11-21-10-17(13-26-19(21)20-18)25-12-14-6-8-16(9-7-14)27-15-4-2-1-3-5-15/h1-9,11,17H,10,12-13H2/t17-/m0/s1
InChIKey
IZTYJZIECAMJBF-KRWDZBQOSA-N
Compound name
(6S)-2-nitro-6-[(4-phenoxyphenyl)methoxy]-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

367.11682 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.12410 182.5
[M+Na]+ 390.10604 187.0
[M-H]- 366.10954 190.8
[M+NH4]+ 385.15064 191.3
[M+K]+ 406.07998 180.2
[M+H-H2O]+ 350.11408 175.9
[M+HCOO]- 412.11502 201.6
[M+CH3COO]- 426.13067 208.3
[M+Na-2H]- 388.09149 189.0
[M]+ 367.11627 182.4
[M]- 367.11737 182.4
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