CID 11778508

61379-38-2

Structural Information

Molecular Formula
C11H14N4O5
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)OCCO
InChI
InChI=1S/C11H14N4O5/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)20-4-3-16/h6,16H,3-5H2,1-2H3
InChIKey
BSHFGYOWIYPMDN-UHFFFAOYSA-N
Compound name
2-hydroxyethyl 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0964 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10368 159.4
[M+Na]+ 305.08562 172.3
[M-H]- 281.08912 159.2
[M+NH4]+ 300.13022 172.9
[M+K]+ 321.05956 169.1
[M+H-H2O]+ 265.09366 151.6
[M+HCOO]- 327.09460 178.9
[M+CH3COO]- 341.11025 197.7
[M+Na-2H]- 303.07107 162.8
[M]+ 282.09585 167.4
[M]- 282.09695 167.4
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.