CID 512011

84499-61-6

Structural Information

Molecular Formula
C10H16N6O4
SMILES
C1=NC2C(N1COCCOC(=O)CN)N=C(NC2=O)N
InChI
InChI=1S/C10H16N6O4/c11-3-6(17)20-2-1-19-5-16-4-13-7-8(16)14-10(12)15-9(7)18/h4,7-8H,1-3,5,11H2,(H3,12,14,15,18)
InChIKey
TYMAJVWKRIOWBD-UHFFFAOYSA-N
Compound name
2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethyl 2-aminoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.1233 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13058 161.6
[M+Na]+ 307.11252 168.2
[M-H]- 283.11602 158.7
[M+NH4]+ 302.15712 173.0
[M+K]+ 323.08646 165.5
[M+H-H2O]+ 267.12056 152.7
[M+HCOO]- 329.12150 177.8
[M+CH3COO]- 343.13715 201.1
[M+Na-2H]- 305.09797 163.7
[M]+ 284.12275 160.2
[M]- 284.12385 160.2
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.