CID 135465382

Chembl38379

Structural Information

Molecular Formula
C10H14N6O3
SMILES
CC(=O)NCCOCN1C=NC2=C1N=C(NC2=O)N
InChI
InChI=1S/C10H14N6O3/c1-6(17)12-2-3-19-5-16-4-13-7-8(16)14-10(11)15-9(7)18/h4H,2-3,5H2,1H3,(H,12,17)(H3,11,14,15,18)
InChIKey
OJRJQTYXAJGBJB-UHFFFAOYSA-N
Compound name
N-[2-[(2-amino-6-oxo-1H-purin-9-yl)methoxy]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.11273 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12001 157.0
[M+Na]+ 289.10195 166.9
[M-H]- 265.10545 155.9
[M+NH4]+ 284.14655 169.9
[M+K]+ 305.07589 163.0
[M+H-H2O]+ 249.10999 148.2
[M+HCOO]- 311.11093 178.0
[M+CH3COO]- 325.12658 198.3
[M+Na-2H]- 287.08740 162.7
[M]+ 266.11218 159.4
[M]- 266.11328 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.