CID 474525

187235-14-9

Structural Information

Molecular Formula
C14H23N3O4
SMILES
CCCCCCCCO[C@@H]1CN2C=C(N=C2OC1)[N+](=O)[O-]
InChI
InChI=1S/C14H23N3O4/c1-2-3-4-5-6-7-8-20-12-9-16-10-13(17(18)19)15-14(16)21-11-12/h10,12H,2-9,11H2,1H3/t12-/m1/s1
InChIKey
JYFIPBONAFMXAW-GFCCVEGCSA-N
Compound name
(6R)-2-nitro-6-octoxy-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

297.16885 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.176126 171.1
[M+Na]+ 320.158068 175.6
[M-H]- 296.161574 172.5
[M+NH4]+ 315.202673 184.3
[M+K]+ 336.132008 170.3
[M+H-H2O]+ 280.166110 167.3
[M+HCOO]- 342.167051 189.6
[M+CH3COO]- 356.182701 197.8
[M+Na-2H]- 318.143516 176.5
[M]+ 297.16830142 173.1
[M]- 297.16939858 173.1
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