CID 135538713

127945-73-7

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₄

SMILES

C1=C(C2=C(N1CC(CO)O)N=C(NC2=O)N)C(=O)N

InChI

InChI=1S/C10H13N5O4/c11-7(18)5-2-15(1-4(17)3-16)8-6(5)9(19)14-10(12)13-8/h2,4,16-17H,1,3H2,(H2,11,18)(H3,12,13,14,19)

InChIKey

KSJRIKNIVVUOLK-UHFFFAOYSA-N

Compound name

2-amino-7-(2,3-dihydroxypropyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 267.09674 Da
Monoisotopic Mass: -3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.104016	156.8
[M+Na]+	290.085958	166.0
[M-H]-	266.089464	154.3
[M+NH4]+	285.130563	169.3
[M+K]+	306.059898	161.9
[M+H-H2O]+	250.094000	149.5
[M+HCOO]-	312.094941	174.6
[M+CH3COO]-	326.110591	196.0
[M+Na-2H]-	288.071406	158.7
[M]+	267.09619142	155.3
[M]-	267.09728858	155.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.