CID 135538706

127945-71-5

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C1=C(C2=C(N1COC(CO)CO)N=C(NC2=O)N)C(=O)N
InChI
InChI=1S/C11H15N5O5/c12-8(19)6-1-16(4-21-5(2-17)3-18)9-7(6)10(20)15-11(13)14-9/h1,5,17-18H,2-4H2,(H2,12,19)(H3,13,14,15,20)
InChIKey
QEDNFGWJVDKZAM-UHFFFAOYSA-N
Compound name
2-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 162.8
[M+Na]+ 320.09655 171.2
[M-H]- 296.10005 160.1
[M+NH4]+ 315.14115 173.9
[M+K]+ 336.07049 167.7
[M+H-H2O]+ 280.10459 155.1
[M+HCOO]- 342.10553 180.4
[M+CH3COO]- 356.12118 201.4
[M+Na-2H]- 318.08200 164.5
[M]+ 297.10678 163.0
[M]- 297.10788 163.0
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.