CID 5278577

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

Structural Information

Molecular Formula
C10H12N4O5
SMILES
CC(=O)OCCOCN1C=NC2=C1N=C(OC2=O)N
InChI
InChI=1S/C10H12N4O5/c1-6(15)18-3-2-17-5-14-4-12-7-8(14)13-10(11)19-9(7)16/h4H,2-3,5H2,1H3,(H2,11,13)
InChIKey
YBHXDGGPGNXCDV-UHFFFAOYSA-N
Compound name
2-[(5-amino-7-oxoimidazo[4,5-d][1,3]oxazin-3-yl)methoxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08078 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08806 154.8
[M+Na]+ 291.07000 165.7
[M-H]- 267.07350 156.8
[M+NH4]+ 286.11460 168.5
[M+K]+ 307.04394 164.9
[M+H-H2O]+ 251.07804 146.4
[M+HCOO]- 313.07898 176.9
[M+CH3COO]- 327.09463 197.0
[M+Na-2H]- 289.05545 160.9
[M]+ 268.08023 162.5
[M]- 268.08133 162.5
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.