CID 6451029

Pa-626

Structural Information

Molecular Formula
C16H23N3O4
SMILES
CC(=CCC/C(=C/CO[C@H]1CN2C=C(N=C2OC1)[N+](=O)[O-])/C)C
InChI
InChI=1S/C16H23N3O4/c1-12(2)5-4-6-13(3)7-8-22-14-9-18-10-15(19(20)21)17-16(18)23-11-14/h5,7,10,14H,4,6,8-9,11H2,1-3H3/b13-7+/t14-/m0/s1
InChIKey
XLBGKFOPSLICIW-GUNGLEHYSA-N
Compound name
(6S)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.16885 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.17613 179.0
[M+Na]+ 344.15807 182.9
[M-H]- 320.16157 180.5
[M+NH4]+ 339.20267 191.1
[M+K]+ 360.13201 176.9
[M+H-H2O]+ 304.16611 175.5
[M+HCOO]- 366.16705 195.3
[M+CH3COO]- 380.18270 202.1
[M+Na-2H]- 342.14352 181.1
[M]+ 321.16830 178.9
[M]- 321.16940 178.9
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