CID 5280116

N-[(6s)-2-nitro-6,7-dihydro-5h-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CCCCCC(=O)N[C@H]1CN2C=C(N=C2OC1)[N+](=O)[O-]
InChI
InChI=1S/C12H18N4O4/c1-2-3-4-5-11(17)13-9-6-15-7-10(16(18)19)14-12(15)20-8-9/h7,9H,2-6,8H2,1H3,(H,13,17)/t9-/m0/s1
InChIKey
WGUYDYLOKKYIFY-VIFPVBQESA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 163.1
[M+Na]+ 305.12202 167.6
[M-H]- 281.12552 165.0
[M+NH4]+ 300.16662 176.4
[M+K]+ 321.09596 162.6
[M+H-H2O]+ 265.13006 159.5
[M+HCOO]- 327.13100 182.5
[M+CH3COO]- 341.14665 195.8
[M+Na-2H]- 303.10747 169.2
[M]+ 282.13225 162.2
[M]- 282.13335 162.2
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

No patent data available for this compound.