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]+ 298.17613 171.1
[M+Na]+ 320.15807 175.6
[M-H]- 296.16157 172.5
[M+NH4]+ 315.20267 184.3
[M+K]+ 336.13201 170.3
[M+H-H2O]+ 280.16611 167.3
[M+HCOO]- 342.16705 189.6
[M+CH3COO]- 356.18270 197.8
[M+Na-2H]- 318.14352 176.5
[M]+ 297.16830 173.1
[M]- 297.16940 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