CID 510430

Chembl355332

Structural Information

Molecular Formula

C₁₁H₁₅N₅O₃

SMILES

COCCOCN1C=C(C2=C(N=CN=C21)N)C(=O)N

InChI

InChI=1S/C11H15N5O3/c1-18-2-3-19-6-16-4-7(10(13)17)8-9(12)14-5-15-11(8)16/h4-5H,2-3,6H2,1H3,(H2,13,17)(H2,12,14,15)

InChIKey

IZQOXTXBNLDETD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 265.1175 Da
Monoisotopic Mass: -1.1
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]+	266.124776	157.0
[M+Na]+	288.106718	166.5
[M-H]-	264.110224	157.8
[M+NH4]+	283.151323	171.7
[M+K]+	304.080658	163.8
[M+H-H2O]+	248.114760	148.4
[M+HCOO]-	310.115701	179.7
[M+CH3COO]-	324.131351	201.4
[M+Na-2H]-	286.092166	161.7
[M]+	265.11695142	160.9
[M]-	265.11804858	160.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.