CID 476517

Pa-1325

Structural Information

Molecular Formula
C14H14N4O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])NC(=O)CC3=CC=CC=C3
InChI
InChI=1S/C14H14N4O4/c19-13(6-10-4-2-1-3-5-10)15-11-7-17-8-12(18(20)21)16-14(17)22-9-11/h1-5,8,11H,6-7,9H2,(H,15,19)/t11-/m0/s1
InChIKey
OLRDIQLSSIJVCS-NSHDSACASA-N
Compound name
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 164.4
[M+Na]+ 325.09072 168.9
[M-H]- 301.09422 169.7
[M+NH4]+ 320.13532 176.2
[M+K]+ 341.06466 162.8
[M+H-H2O]+ 285.09876 159.7
[M+HCOO]- 347.09970 184.4
[M+CH3COO]- 361.11535 197.8
[M+Na-2H]- 323.07617 171.8
[M]+ 302.10095 161.7
[M]- 302.10205 161.7
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.