CID 5278578

2-[(5-amino-7-oxo-imidazo[4,5-d][1,3]oxazin-3-yl)methoxy]ethyl propanoate

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CCC(=O)OCCOCN1C=NC2=C1N=C(OC2=O)N
InChI
InChI=1S/C11H14N4O5/c1-2-7(16)19-4-3-18-6-15-5-13-8-9(15)14-11(12)20-10(8)17/h5H,2-4,6H2,1H3,(H2,12,14)
InChIKey
UDRHDNNGKCVUEZ-UHFFFAOYSA-N
Compound name
2-[(5-amino-7-oxoimidazo[4,5-d][1,3]oxazin-3-yl)methoxy]ethyl propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0964 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 159.4
[M+Na]+ 305.08562 169.9
[M-H]- 281.08912 161.2
[M+NH4]+ 300.13022 172.5
[M+K]+ 321.05956 168.8
[M+H-H2O]+ 265.09366 150.8
[M+HCOO]- 327.09460 181.1
[M+CH3COO]- 341.11025 199.9
[M+Na-2H]- 303.07107 164.9
[M]+ 282.09585 167.5
[M]- 282.09695 167.5
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.