CID 135538709

127945-72-6

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₄

SMILES

C1=C(C2=C(N1COCCO)N=C(NC2=O)N)C(=O)N

InChI

InChI=1S/C10H13N5O4/c11-7(17)5-3-15(4-19-2-1-16)8-6(5)9(18)14-10(12)13-8/h3,16H,1-2,4H2,(H2,11,17)(H3,12,13,14,18)

InChIKey

GHPMQUUXWCRSBD-UHFFFAOYSA-N

Compound name

2-amino-7-(2-hydroxyethoxymethyl)-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: -2.7
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	155.8
[M+Na]+	290.085958	165.7
[M-H]-	266.089464	154.4
[M+NH4]+	285.130563	169.1
[M+K]+	306.059898	161.7
[M+H-H2O]+	250.094000	148.0
[M+HCOO]-	312.094941	176.0
[M+CH3COO]-	326.110591	197.0
[M+Na-2H]-	288.071406	159.3
[M]+	267.09619142	156.7
[M]-	267.09728858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.